1-[[[amino-(cyclobutylmethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

C15H28N4O — CID 111812072

IUPAC1-[[[amino-(cyclobutylmethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCN(C)C(=O)C1(C/N=C(\N)NCC2CCC2)CCCC1
InChIInChI=1S/C15H28N4O/c1-19(2)13(20)15(8-3-4-9-15)11-18-14(16)17-10-12-6-5-7-12/h12H,3-11H2,1-2H3,(H3,16,17,18)
InChIKeyUFSCXTMASCGVIJ-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.34
Rot. Bonds5

About 1-[[[amino-(cyclobutylmethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

1-[[[amino-(cyclobutylmethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (PubChem CID 111812072) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-[[[amino-(cyclobutylmethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[[amino-(cyclobutylmethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
PubChem CID111812072
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name1-[[[amino-(cyclobutylmethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCN(C)C(=O)C1(C/N=C(\N)NCC2CCC2)CCCC1
InChIInChI=1S/C15H28N4O/c1-19(2)13(20)15(8-3-4-9-15)11-18-14(16)17-10-12-6-5-7-12/h12H,3-11H2,1-2H3,(H3,16,17,18)
InChIKeyUFSCXTMASCGVIJ-UHFFFAOYSA-N
XLogP1.34
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[[[amino-(cyclopentylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 119147730
1-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111812074
1-(cyclobutylmethyl)-2-[(2-hydroxy-1-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 111751788
1-(cyclobutylmethyl)-2-[(1-methoxycyclobutyl)methyl]guanidine;hydroiodide
CID 110017961
1-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111812062
1-(cyclobutylmethyl)-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 111722110
1-[[[amino-(4-methylpiperidin-1-yl)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111123564
1-(cyclobutylmethyl)-2-[[1-(difluoromethyl)cyclopropyl]methyl]guanidine
CID 120662388
1-(cyclobutylmethyl)-2-[(4-methyloxan-4-yl)methyl]guanidine;hydroiodide
CID 119152239
N,N-dimethyl-1-[[[N'-methyl-N-(oxan-4-ylmethyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 119140447
2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-ethylacetamide
CID 111032094
1-(cyclobutylmethyl)-2-[(3-methyloxolan-3-yl)methyl]guanidine
CID 119147546

Frequently Asked Questions

What is the IUPAC name of 1-[[[amino-(cyclobutylmethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The IUPAC name of 1-[[[amino-(cyclobutylmethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (CID 111812072) is 1-[[[amino-(cyclobutylmethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[[amino-(cyclobutylmethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for 1-[[[amino-(cyclobutylmethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is CN(C)C(=O)C1(C/N=C(\N)NCC2CCC2)CCCC1.
What is the InChIKey of 1-[[[amino-(cyclobutylmethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The InChIKey is UFSCXTMASCGVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-19(2)13(20)15(8-3-4-9-15)11-18-14(16)17-10-12-6-5-7-12/h12H,3-11H2,1-2H3,(H3,16,17,18).
What are the key properties of 1-[[[amino-(cyclobutylmethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
1-[[[amino-(cyclobutylmethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide has a molecular weight of 280.42 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[amino-(cyclobutylmethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 111812072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).