1-[[[[3-(diethylamino)propylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

C19H39N5O — CID 111571671

IUPAC1-[[[[3-(diethylamino)propylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCCN/C(=N\CC1(C(=O)N(C)C)CCCC1)NCCCN(CC)CC
InChIInChI=1S/C19H39N5O/c1-6-20-18(21-14-11-15-24(7-2)8-3)22-16-19(12-9-10-13-19)17(25)23(4)5/h6-16H2,1-5H3,(H2,20,21,22)
InChIKeyCZXXRXYSNKFTJH-UHFFFAOYSA-N
MW353.56 g/mol
LogP1.92
Rot. Bonds10

About 1-[[[[3-(diethylamino)propylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

1-[[[[3-(diethylamino)propylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (PubChem CID 111571671) has the molecular formula C19H39N5O and a molecular weight of 353.56 g/mol. Its IUPAC name is 1-[[[[3-(diethylamino)propylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[[[3-(diethylamino)propylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
PubChem CID111571671
Molecular FormulaC19H39N5O
Molecular Weight353.56 g/mol
Exact Mass353.32
IUPAC Name1-[[[[3-(diethylamino)propylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCCN/C(=N\CC1(C(=O)N(C)C)CCCC1)NCCCN(CC)CC
InChIInChI=1S/C19H39N5O/c1-6-20-18(21-14-11-15-24(7-2)8-3)22-16-19(12-9-10-13-19)17(25)23(4)5/h6-16H2,1-5H3,(H2,20,21,22)
InChIKeyCZXXRXYSNKFTJH-UHFFFAOYSA-N
XLogP1.92
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.56
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[[butylamino(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111571749
1-[[[ethylamino-[3-[ethyl(methylsulfonyl)amino]propylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111572241
1-[[[ethylamino-(3-methylsulfonylpropylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111570112
1-[[[ethylamino-[4-(4-ethylpiperazin-1-yl)butylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111569800
1-[[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111571615
1-[[[ethylamino-(4-morpholin-4-ylbutylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111572316
1-[[[ethylamino-(3-pyrazol-1-ylpropylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111569667
1-[[[[3-(3,5-dimethylpyrazol-1-yl)propylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111570185
1-[[[ethylamino-[2-(2-methoxyethoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111571028
1-[[[ethylamino-[4-(3-methylpiperidin-1-yl)butylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111571385
1-[[[ethylamino-[3-(2-methylpiperidin-1-yl)propylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111570946
1-[[[ethylamino-[3-(4-methylpyrazol-1-yl)propylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111572304

Frequently Asked Questions

What is the IUPAC name of 1-[[[[3-(diethylamino)propylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The IUPAC name of 1-[[[[3-(diethylamino)propylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (CID 111571671) is 1-[[[[3-(diethylamino)propylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[[[3-(diethylamino)propylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for 1-[[[[3-(diethylamino)propylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is CCN/C(=N\CC1(C(=O)N(C)C)CCCC1)NCCCN(CC)CC.
What is the InChIKey of 1-[[[[3-(diethylamino)propylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The InChIKey is CZXXRXYSNKFTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N5O/c1-6-20-18(21-14-11-15-24(7-2)8-3)22-16-19(12-9-10-13-19)17(25)23(4)5/h6-16H2,1-5H3,(H2,20,21,22).
What are the key properties of 1-[[[[3-(diethylamino)propylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
1-[[[[3-(diethylamino)propylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide has a molecular weight of 353.56 g/mol, XLogP of 1.92, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[[3-(diethylamino)propylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 111571671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).