3-amino-N-[3-(hydroxymethyl)pentan-3-yl]cyclohexane-1-carboxamide

C13H26N2O2 — CID 63045589

IUPAC3-amino-N-[3-(hydroxymethyl)pentan-3-yl]cyclohexane-1-carboxamide
SMILESCCC(CC)(CO)NC(=O)C1CCCC(N)C1
InChIInChI=1S/C13H26N2O2/c1-3-13(4-2,9-16)15-12(17)10-6-5-7-11(14)8-10/h10-11,16H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyIVGDANZNRDHDPT-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.17
Rot. Bonds5

About 3-amino-N-[3-(hydroxymethyl)pentan-3-yl]cyclohexane-1-carboxamide

3-amino-N-[3-(hydroxymethyl)pentan-3-yl]cyclohexane-1-carboxamide (PubChem CID 63045589) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-amino-N-[3-(hydroxymethyl)pentan-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(hydroxymethyl)pentan-3-yl]cyclohexane-1-carboxamide
PubChem CID63045589
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-amino-N-[3-(hydroxymethyl)pentan-3-yl]cyclohexane-1-carboxamide
SMILESCCC(CC)(CO)NC(=O)C1CCCC(N)C1
InChIInChI=1S/C13H26N2O2/c1-3-13(4-2,9-16)15-12(17)10-6-5-7-11(14)8-10/h10-11,16H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyIVGDANZNRDHDPT-UHFFFAOYSA-N
XLogP1.17
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-(aminomethyl)pentan-3-yl]cyclopentane-1-carboxamide
CID 122080567
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide
CID 59903021
3-amino-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119763282
3-amino-N-(2,4,4-trimethylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119674765
2-[(3-aminocyclohexyl)amino]-2-ethylpropane-1,3-diol
CID 107864835
4-(aminomethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexane-1-carboxamide
CID 107865545
3-amino-N-(1-amino-2-cyclopropylpropan-2-yl)cyclohexane-1-carboxamide
CID 122080572
methyl 2-[(3-aminocyclohexanecarbonyl)amino]-2-methylpropanoate
CID 63043974
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
3-amino-N-pentylcyclohexane-1-carboxamide
CID 62775416
3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclohexane-1-carboxamide
CID 114176946
cis-methyl (1S,3R)-3-aminocyclohexane-1-carboxylate;cis-methyl (1R,3S)-3-aminocyclohexane-1-carboxylate;dihydrochloride
CID 170996917

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(hydroxymethyl)pentan-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[3-(hydroxymethyl)pentan-3-yl]cyclohexane-1-carboxamide (CID 63045589) is 3-amino-N-[3-(hydroxymethyl)pentan-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(hydroxymethyl)pentan-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-(hydroxymethyl)pentan-3-yl]cyclohexane-1-carboxamide is CCC(CC)(CO)NC(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-[3-(hydroxymethyl)pentan-3-yl]cyclohexane-1-carboxamide?
The InChIKey is IVGDANZNRDHDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-13(4-2,9-16)15-12(17)10-6-5-7-11(14)8-10/h10-11,16H,3-9,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-N-[3-(hydroxymethyl)pentan-3-yl]cyclohexane-1-carboxamide?
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]cyclohexane-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(hydroxymethyl)pentan-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 63045589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).