6-amino-N-[(4-hydroxycyclohexyl)methyl]hexanamide

C13H26N2O2 — CID 106135658

IUPAC6-amino-N-[(4-hydroxycyclohexyl)methyl]hexanamide
SMILESNCCCCCC(=O)NCC1CCC(O)CC1
InChIInChI=1S/C13H26N2O2/c14-9-3-1-2-4-13(17)15-10-11-5-7-12(16)8-6-11/h11-12,16H,1-10,14H2,(H,15,17)
InChIKeyKCEZCVVKIWIOGL-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.17
Rot. Bonds7

About 6-amino-N-[(4-hydroxycyclohexyl)methyl]hexanamide

6-amino-N-[(4-hydroxycyclohexyl)methyl]hexanamide (PubChem CID 106135658) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 6-amino-N-[(4-hydroxycyclohexyl)methyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[(4-hydroxycyclohexyl)methyl]hexanamide
PubChem CID106135658
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name6-amino-N-[(4-hydroxycyclohexyl)methyl]hexanamide
SMILESNCCCCCC(=O)NCC1CCC(O)CC1
InChIInChI=1S/C13H26N2O2/c14-9-3-1-2-4-13(17)15-10-11-5-7-12(16)8-6-11/h11-12,16H,1-10,14H2,(H,15,17)
InChIKeyKCEZCVVKIWIOGL-UHFFFAOYSA-N
XLogP1.17
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-(cyclopropylmethyl)hexanamide
CID 24707919
7-amino-N-(cyclopropylmethyl)heptanamide
CID 24705524
6-amino-N-(cyclohexylmethyl)hexanamide
CID 43371592
4-hydroxy-N-[(4-hydroxycyclohexyl)methyl]butanamide
CID 106137727
7-amino-N-(oxan-4-ylmethyl)heptanamide;hydrochloride
CID 119724916
4-amino-N-(cyclobutylmethyl)butanamide
CID 43298749
4-amino-N-(cyclopentylmethyl)butanamide
CID 43371168
N-[(4-hydroxycyclohexyl)methyl]-3-sulfanylpropanamide
CID 106137800
7-amino-N-[(2-methylcyclohexyl)methyl]heptanamide
CID 55012025
5-chloro-N-[(3-hydroxycyclopentyl)methyl]pentanamide
CID 106127901
4-(2-aminoethyl)-N-[(4-hydroxycyclohexyl)methyl]-5,5-dimethylhexanamide
CID 106135446
N-[(4-hydroxycyclohexyl)methyl]-2-sulfanylacetamide
CID 106137809

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(4-hydroxycyclohexyl)methyl]hexanamide?
The IUPAC name of 6-amino-N-[(4-hydroxycyclohexyl)methyl]hexanamide (CID 106135658) is 6-amino-N-[(4-hydroxycyclohexyl)methyl]hexanamide.
What is the SMILES notation for 6-amino-N-[(4-hydroxycyclohexyl)methyl]hexanamide?
The canonical SMILES for 6-amino-N-[(4-hydroxycyclohexyl)methyl]hexanamide is NCCCCCC(=O)NCC1CCC(O)CC1.
What is the InChIKey of 6-amino-N-[(4-hydroxycyclohexyl)methyl]hexanamide?
The InChIKey is KCEZCVVKIWIOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c14-9-3-1-2-4-13(17)15-10-11-5-7-12(16)8-6-11/h11-12,16H,1-10,14H2,(H,15,17).
What are the key properties of 6-amino-N-[(4-hydroxycyclohexyl)methyl]hexanamide?
6-amino-N-[(4-hydroxycyclohexyl)methyl]hexanamide has a molecular weight of 242.36 g/mol, XLogP of 1.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(4-hydroxycyclohexyl)methyl]hexanamide is sourced from PubChem (CID 106135658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).