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

C15H31N3O — CID 79655524

IUPAC3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCC(C)CCN(C)C1CCC(NC(C)C)(C(N)=O)C1
InChIInChI=1S/C15H31N3O/c1-11(2)7-9-18(5)13-6-8-15(10-13,14(16)19)17-12(3)4/h11-13,17H,6-10H2,1-5H3,(H2,16,19)
InChIKeyFMNPQSYDVRFSOQ-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.74
Rot. Bonds7

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

3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide (PubChem CID 79655524) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
PubChem CID79655524
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCC(C)CCN(C)C1CCC(NC(C)C)(C(N)=O)C1
InChIInChI=1S/C15H31N3O/c1-11(2)7-9-18(5)13-6-8-15(10-13,14(16)19)17-12(3)4/h11-13,17H,6-10H2,1-5H3,(H2,16,19)
InChIKeyFMNPQSYDVRFSOQ-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79650033
3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79654805
3-[methyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79650663
3-[2-(dimethylamino)ethyl-propylamino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79647875
3-[ethyl(2-ethylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79646901
1-(ethylamino)-3-[methyl(2-methylpropyl)amino]cyclopentane-1-carboxamide
CID 79649949
methyl 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79649647
3-[methyl(oxan-4-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79655558
3-[methyl-(3-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79646644
1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide
CID 79646380
methyl 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79649533
[3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640094

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The IUPAC name of 3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide (CID 79655524) is 3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide is CC(C)CCN(C)C1CCC(NC(C)C)(C(N)=O)C1.
What is the InChIKey of 3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The InChIKey is FMNPQSYDVRFSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-11(2)7-9-18(5)13-6-8-15(10-13,14(16)19)17-12(3)4/h11-13,17H,6-10H2,1-5H3,(H2,16,19).
What are the key properties of 3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79655524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).