4-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide;hydrochloride

C14H29ClN2O — CID 120561038

IUPAC4-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide;hydrochloride
SMILESCCC1CCC(CNC(=O)CCC(C)N)CC1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-3-12-5-7-13(8-6-12)10-16-14(17)9-4-11(2)15;/h11-13H,3-10,15H2,1-2H3,(H,16,17);1H
InChIKeyYVHPYOHYTAMKLV-UHFFFAOYSA-N
MW276.85 g/mol
LogP2.87
Rot. Bonds6

About 4-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide;hydrochloride

4-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide;hydrochloride (PubChem CID 120561038) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is 4-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide;hydrochloride
PubChem CID120561038
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC Name4-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide;hydrochloride
SMILESCCC1CCC(CNC(=O)CCC(C)N)CC1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-3-12-5-7-13(8-6-12)10-16-14(17)9-4-11(2)15;/h11-13H,3-10,15H2,1-2H3,(H,16,17);1H
InChIKeyYVHPYOHYTAMKLV-UHFFFAOYSA-N
XLogP2.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(4-ethylcyclohexyl)pentanamide;hydrochloride
CID 120560101
(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]propanamide
CID 61149083
N-[(4-ethylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide
CID 54880970
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylpentanamide
CID 114231575
N-[(4-ethylcyclohexyl)methyl]-2-(propan-2-ylamino)acetamide
CID 54880897
3-amino-N-[(4-methoxycyclohexyl)methyl]butanamide;hydrochloride
CID 119790794
(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide
CID 93389393
N-[(4-aminocyclohexyl)methyl]-4-methoxypentanamide
CID 106124719
4-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide
CID 80543097
4-amino-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride
CID 120564004
N-[(4-bromocyclohexyl)methyl]-4-methylpentanamide
CID 106134835
4-amino-N-[(2-methylcyclopentyl)methyl]pentanamide
CID 107418378

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide;hydrochloride (CID 120561038) is 4-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide;hydrochloride is CCC1CCC(CNC(=O)CCC(C)N)CC1.Cl.
What is the InChIKey of 4-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide;hydrochloride?
The InChIKey is YVHPYOHYTAMKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-3-12-5-7-13(8-6-12)10-16-14(17)9-4-11(2)15;/h11-13H,3-10,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 4-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide;hydrochloride?
4-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide;hydrochloride is sourced from PubChem (CID 120561038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).