1-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopentane-1-carboxamide

C14H29N3O — CID 114140196

IUPAC1-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopentane-1-carboxamide
SMILESCC(C)N(C)CCCNC(=O)C1(CN)CCCC1
InChIInChI=1S/C14H29N3O/c1-12(2)17(3)10-6-9-16-13(18)14(11-15)7-4-5-8-14/h12H,4-11,15H2,1-3H3,(H,16,18)
InChIKeyKWYPLWIUEKCFOK-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.35
Rot. Bonds7

About 1-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopentane-1-carboxamide

1-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopentane-1-carboxamide (PubChem CID 114140196) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopentane-1-carboxamide
PubChem CID114140196
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopentane-1-carboxamide
SMILESCC(C)N(C)CCCNC(=O)C1(CN)CCCC1
InChIInChI=1S/C14H29N3O/c1-12(2)17(3)10-6-9-16-13(18)14(11-15)7-4-5-8-14/h12H,4-11,15H2,1-3H3,(H,16,18)
InChIKeyKWYPLWIUEKCFOK-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 80587383
1-(aminomethyl)-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide
CID 106011493
1-(N'-hydroxycarbamimidoyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide
CID 106041260
1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide
CID 115437743
5-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpentanoic acid
CID 104685703
1-(aminomethyl)-N-(3-hydroxybutyl)cyclopentane-1-carboxamide
CID 81489303
1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide
CID 107317645
1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide
CID 106842065
1-(N'-hydroxycarbamimidoyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopropane-1-carboxamide
CID 114139858
1-(aminomethyl)-N-[2-(diethylamino)ethyl]cyclopentane-1-carboxamide
CID 55037810
1-(aminomethyl)-N-[2-(2-methylpropanoylamino)ethyl]cyclobutane-1-carboxamide
CID 115448338
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid
CID 115435094

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopentane-1-carboxamide (CID 114140196) is 1-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopentane-1-carboxamide is CC(C)N(C)CCCNC(=O)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopentane-1-carboxamide?
The InChIKey is KWYPLWIUEKCFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-12(2)17(3)10-6-9-16-13(18)14(11-15)7-4-5-8-14/h12H,4-11,15H2,1-3H3,(H,16,18).
What are the key properties of 1-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopentane-1-carboxamide?
1-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopentane-1-carboxamide has a molecular weight of 255.41 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 114140196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).