3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide

C13H27N3O — CID 79650033

IUPAC3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCCCN(C)C1CCC(NC(C)C)(C(N)=O)C1
InChIInChI=1S/C13H27N3O/c1-5-8-16(4)11-6-7-13(9-11,12(14)17)15-10(2)3/h10-11,15H,5-9H2,1-4H3,(H2,14,17)
InChIKeyNZILMGODMMSCJA-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.10
Rot. Bonds6

About 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide

3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide (PubChem CID 79650033) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
PubChem CID79650033
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCCCN(C)C1CCC(NC(C)C)(C(N)=O)C1
InChIInChI=1S/C13H27N3O/c1-5-8-16(4)11-6-7-13(9-11,12(14)17)15-10(2)3/h10-11,15H,5-9H2,1-4H3,(H2,14,17)
InChIKeyNZILMGODMMSCJA-UHFFFAOYSA-N
XLogP1.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79654805
3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79655524
3-[2-(dimethylamino)ethyl-propylamino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79647875
methyl 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79649647
1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide
CID 79646380
3-[methyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79650663
methyl 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79649533
3-[ethyl(2-ethylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79646901
3-[methyl(pentan-3-yl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79636769
3-[methyl(oxan-4-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79655558
ethyl 3-[cyclopropylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79655565
3-[ethyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79654965

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The IUPAC name of 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide (CID 79650033) is 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide is CCCN(C)C1CCC(NC(C)C)(C(N)=O)C1.
What is the InChIKey of 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The InChIKey is NZILMGODMMSCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-5-8-16(4)11-6-7-13(9-11,12(14)17)15-10(2)3/h10-11,15H,5-9H2,1-4H3,(H2,14,17).
What are the key properties of 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79650033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).