2-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide

C13H26N2O2 — CID 103950314

IUPAC2-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide
SMILESCCCCC(N)C(=O)NCC1CCCC(O)C1
InChIInChI=1S/C13H26N2O2/c1-2-3-7-12(14)13(17)15-9-10-5-4-6-11(16)8-10/h10-12,16H,2-9,14H2,1H3,(H,15,17)
InChIKeyWLGVNLFDAQQGQG-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.17
Rot. Bonds6

About 2-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide

2-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide (PubChem CID 103950314) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide.

Molecular Properties

Compound Name2-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide
PubChem CID103950314
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide
SMILESCCCCC(N)C(=O)NCC1CCCC(O)C1
InChIInChI=1S/C13H26N2O2/c1-2-3-7-12(14)13(17)15-9-10-5-4-6-11(16)8-10/h10-12,16H,2-9,14H2,1H3,(H,15,17)
InChIKeyWLGVNLFDAQQGQG-UHFFFAOYSA-N
XLogP1.17
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

2-amino-N-[(3-hydroxycyclopentyl)methyl]hexanamide
CID 106134012
2-amino-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 103950304
2-ethyl-N-[(3-hydroxycyclopentyl)methyl]hexanamide
CID 103279742
(2S)-2-amino-N-(thiolan-3-ylmethyl)hexanamide
CID 107296121
2-bromo-N-[(3-hydroxycyclohexyl)methyl]propanamide
CID 106128023
4-amino-5-[(3-hydroxycyclopentyl)methylamino]-5-oxopentanoic acid
CID 106134041
5-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide
CID 114148164
(2S)-2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]hexanamide
CID 113304850
(2S)-2-amino-N-(2-cyclopropylethyl)hexanamide
CID 103831775
3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methoxypropanamide
CID 106135074
2-amino-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 106134063
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)hexanamide
CID 63684003

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide?
The IUPAC name of 2-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide (CID 103950314) is 2-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide.
What is the SMILES notation for 2-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide?
The canonical SMILES for 2-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide is CCCCC(N)C(=O)NCC1CCCC(O)C1.
What is the InChIKey of 2-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide?
The InChIKey is WLGVNLFDAQQGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-3-7-12(14)13(17)15-9-10-5-4-6-11(16)8-10/h10-12,16H,2-9,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide?
2-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide has a molecular weight of 242.36 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide is sourced from PubChem (CID 103950314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).