1-[(pentan-3-ylamino)methyl]cyclopentane-1-carboxamide

C12H24N2O — CID 115720546

IUPAC1-[(pentan-3-ylamino)methyl]cyclopentane-1-carboxamide
SMILESCCC(CC)NCC1(C(N)=O)CCCC1
InChIInChI=1S/C12H24N2O/c1-3-10(4-2)14-9-12(11(13)15)7-5-6-8-12/h10,14H,3-9H2,1-2H3,(H2,13,15)
InChIKeyJYPVRSPXMYQRSC-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.81
Rot. Bonds6

About 1-[(pentan-3-ylamino)methyl]cyclopentane-1-carboxamide

1-[(pentan-3-ylamino)methyl]cyclopentane-1-carboxamide (PubChem CID 115720546) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[(pentan-3-ylamino)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[(pentan-3-ylamino)methyl]cyclopentane-1-carboxamide
PubChem CID115720546
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[(pentan-3-ylamino)methyl]cyclopentane-1-carboxamide
SMILESCCC(CC)NCC1(C(N)=O)CCCC1
InChIInChI=1S/C12H24N2O/c1-3-10(4-2)14-9-12(11(13)15)7-5-6-8-12/h10,14H,3-9H2,1-2H3,(H2,13,15)
InChIKeyJYPVRSPXMYQRSC-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

rel-(1R,2S)-2-Amino-N-methylcyclopentanecarboxamide
CID 14865628
(1S,11R)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199279
(9aR,12aS)-1-isopentyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
CID 110199292
(1S,11R)-2-propanoyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199282
(1S,11R)-2-acetyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199285
1-ethyl-N-[3-(methylamino)propyl]cyclopentane-1-carboxamide
CID 80262233
N,N-dimethyl-1-[(3-methylbutylamino)methyl]cyclopentane-1-carboxamide
CID 99831545
1-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 61831309
2-amino-N,1-dimethyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 82763779
2-amino-N-butyl-1-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 82763792
2-amino-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 82763933
2-amino-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 82764421

Frequently Asked Questions

What is the IUPAC name of 1-[(pentan-3-ylamino)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-[(pentan-3-ylamino)methyl]cyclopentane-1-carboxamide (CID 115720546) is 1-[(pentan-3-ylamino)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[(pentan-3-ylamino)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[(pentan-3-ylamino)methyl]cyclopentane-1-carboxamide is CCC(CC)NCC1(C(N)=O)CCCC1.
What is the InChIKey of 1-[(pentan-3-ylamino)methyl]cyclopentane-1-carboxamide?
The InChIKey is JYPVRSPXMYQRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-10(4-2)14-9-12(11(13)15)7-5-6-8-12/h10,14H,3-9H2,1-2H3,(H2,13,15).
What are the key properties of 1-[(pentan-3-ylamino)methyl]cyclopentane-1-carboxamide?
1-[(pentan-3-ylamino)methyl]cyclopentane-1-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(pentan-3-ylamino)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 115720546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).