4-[(pentan-3-ylamino)methyl]cyclohexane-1-carboxamide

C13H26N2O — CID 115892601

IUPAC4-[(pentan-3-ylamino)methyl]cyclohexane-1-carboxamide
SMILESCCC(CC)NCC1CCC(C(N)=O)CC1
InChIInChI=1S/C13H26N2O/c1-3-12(4-2)15-9-10-5-7-11(8-6-10)13(14)16/h10-12,15H,3-9H2,1-2H3,(H2,14,16)
InChIKeyMMFWSTVVCCGSDA-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.06
Rot. Bonds6

About 4-[(pentan-3-ylamino)methyl]cyclohexane-1-carboxamide

4-[(pentan-3-ylamino)methyl]cyclohexane-1-carboxamide (PubChem CID 115892601) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-[(pentan-3-ylamino)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(pentan-3-ylamino)methyl]cyclohexane-1-carboxamide
PubChem CID115892601
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-[(pentan-3-ylamino)methyl]cyclohexane-1-carboxamide
SMILESCCC(CC)NCC1CCC(C(N)=O)CC1
InChIInChI=1S/C13H26N2O/c1-3-12(4-2)15-9-10-5-7-11(8-6-10)13(14)16/h10-12,15H,3-9H2,1-2H3,(H2,14,16)
InChIKeyMMFWSTVVCCGSDA-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(hydrazinylmethyl)cyclohexane-1-carboxamide
CID 123819630
methyl 2-(cyclopropylmethylamino)-3-methylpentanoate
CID 43732464
cyclopropanecarboxamide;propanamide
CID 174752815
methyl 2-(cyclopropylmethylamino)butanoate
CID 61001350
3-[(pentan-3-ylamino)methyl]cyclopentan-1-ol
CID 103271506
methyl (2R)-2-(cyclopropylmethylamino)butanoate
CID 67121985
N-[(1,1-dioxothian-4-yl)methyl]pentan-3-amine
CID 115896677
2-[(4-ethylcyclohexyl)methylamino]butanamide
CID 62901748
methyl 2-(cyclopropylmethylamino)propanoate
CID 60780744
N-(cyclobutylmethyl)-1-cyclopropylbutan-2-amine
CID 65459186
2-(cyclopropylmethylamino)-4-methoxy-3-methylbutanamide
CID 116501952
cyclopropanecarboxamide;cyclopropylmethanamine
CID 175374528

Frequently Asked Questions

What is the IUPAC name of 4-[(pentan-3-ylamino)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(pentan-3-ylamino)methyl]cyclohexane-1-carboxamide (CID 115892601) is 4-[(pentan-3-ylamino)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(pentan-3-ylamino)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(pentan-3-ylamino)methyl]cyclohexane-1-carboxamide is CCC(CC)NCC1CCC(C(N)=O)CC1.
What is the InChIKey of 4-[(pentan-3-ylamino)methyl]cyclohexane-1-carboxamide?
The InChIKey is MMFWSTVVCCGSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-12(4-2)15-9-10-5-7-11(8-6-10)13(14)16/h10-12,15H,3-9H2,1-2H3,(H2,14,16).
What are the key properties of 4-[(pentan-3-ylamino)methyl]cyclohexane-1-carboxamide?
4-[(pentan-3-ylamino)methyl]cyclohexane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(pentan-3-ylamino)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 115892601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).