1-[[[ethylamino-[(1-methylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

C18H35N5O — CID 111572233

IUPAC1-[[[ethylamino-[(1-methylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCCN/C(=N\CC1(C(=O)N(C)C)CCCC1)NCC1CCCN1C
InChIInChI=1S/C18H35N5O/c1-5-19-17(20-13-15-9-8-12-23(15)4)21-14-18(10-6-7-11-18)16(24)22(2)3/h15H,5-14H2,1-4H3,(H2,19,20,21)
InChIKeyABCMWPDHILADMJ-UHFFFAOYSA-N
MW337.51 g/mol
LogP1.28
Rot. Bonds6

About 1-[[[ethylamino-[(1-methylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

1-[[[ethylamino-[(1-methylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (PubChem CID 111572233) has the molecular formula C18H35N5O and a molecular weight of 337.51 g/mol. Its IUPAC name is 1-[[[ethylamino-[(1-methylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[[ethylamino-[(1-methylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
PubChem CID111572233
Molecular FormulaC18H35N5O
Molecular Weight337.51 g/mol
Exact Mass337.28
IUPAC Name1-[[[ethylamino-[(1-methylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCCN/C(=N\CC1(C(=O)N(C)C)CCCC1)NCC1CCCN1C
InChIInChI=1S/C18H35N5O/c1-5-19-17(20-13-15-9-8-12-23(15)4)21-14-18(10-6-7-11-18)16(24)22(2)3/h15H,5-14H2,1-4H3,(H2,19,20,21)
InChIKeyABCMWPDHILADMJ-UHFFFAOYSA-N
XLogP1.28
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[[[ethylamino-[4-(3-methylpiperidin-1-yl)butylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111571385
1-[[[butylamino(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111571749
1-[[[ethylamino-[3-(2-methylpiperidin-1-yl)propylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111570946
1-[[[ethylamino-[4-(4-ethylpiperazin-1-yl)butylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111569800
1-[[[ethylamino-[[1-(2-phenylethyl)pyrrolidin-3-yl]methylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111570239
1-[[[ethylamino-(2-pyrrolidin-1-ylbutylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111571036
1-[[[ethylamino-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111570906
1-[[[ethylamino-(4-morpholin-4-ylbutylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111572316
2-(cyclopropylmethyl)-1-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111870622
1-[[[ethylamino-[2-(2-methoxyethoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111571028
1-[[[[3-(diethylamino)propylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111571671
1-[[[ethylamino-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111571681

Frequently Asked Questions

What is the IUPAC name of 1-[[[ethylamino-[(1-methylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The IUPAC name of 1-[[[ethylamino-[(1-methylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (CID 111572233) is 1-[[[ethylamino-[(1-methylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[[ethylamino-[(1-methylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for 1-[[[ethylamino-[(1-methylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is CCN/C(=N\CC1(C(=O)N(C)C)CCCC1)NCC1CCCN1C.
What is the InChIKey of 1-[[[ethylamino-[(1-methylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The InChIKey is ABCMWPDHILADMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N5O/c1-5-19-17(20-13-15-9-8-12-23(15)4)21-14-18(10-6-7-11-18)16(24)22(2)3/h15H,5-14H2,1-4H3,(H2,19,20,21).
What are the key properties of 1-[[[ethylamino-[(1-methylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
1-[[[ethylamino-[(1-methylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide has a molecular weight of 337.51 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[ethylamino-[(1-methylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 111572233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).