4-amino-N-(4-ethylcyclohexyl)pentanamide;hydrochloride

C13H27ClN2O — CID 120560101

IUPAC4-amino-N-(4-ethylcyclohexyl)pentanamide;hydrochloride
SMILESCCC1CCC(NC(=O)CCC(C)N)CC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-3-11-5-7-12(8-6-11)15-13(16)9-4-10(2)14;/h10-12H,3-9,14H2,1-2H3,(H,15,16);1H
InChIKeySZGHDOFQNUXLPI-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.62
Rot. Bonds5

About 4-amino-N-(4-ethylcyclohexyl)pentanamide;hydrochloride

4-amino-N-(4-ethylcyclohexyl)pentanamide;hydrochloride (PubChem CID 120560101) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 4-amino-N-(4-ethylcyclohexyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(4-ethylcyclohexyl)pentanamide;hydrochloride
PubChem CID120560101
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name4-amino-N-(4-ethylcyclohexyl)pentanamide;hydrochloride
SMILESCCC1CCC(NC(=O)CCC(C)N)CC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-3-11-5-7-12(8-6-11)15-13(16)9-4-10(2)14;/h10-12H,3-9,14H2,1-2H3,(H,15,16);1H
InChIKeySZGHDOFQNUXLPI-UHFFFAOYSA-N
XLogP2.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide;hydrochloride
CID 120561038
5-amino-N-cyclopropylhexanamide
CID 82848782
4-chloro-N-(4-ethylcyclohexyl)butanamide
CID 63308231
4-amino-5-[(4-ethylcyclohexyl)amino]-5-oxopentanoic acid
CID 64888758
4-(5-aminohexanoylamino)cyclohexane-1-carboxylic acid
CID 82852110
2-(4-aminocyclohexyl)-N-(4-ethylcyclohexyl)acetamide
CID 62782919
2-(cyclopropylmethylamino)-N-(4-ethylcyclohexyl)acetamide;hydrochloride
CID 119716167
3-(ethylamino)-N-(4-ethylcyclohexyl)butanamide
CID 62838015
2-(1-aminocyclopentyl)-N-(4-ethylcyclohexyl)acetamide
CID 64678625
5-amino-N-[2-(cyclopropylamino)-2-oxoethyl]hexanamide
CID 82848963
N-(4-ethylcyclohexyl)-2-methoxypropanamide
CID 115588230
3-[(4-ethylcyclohexyl)amino]-2-methyl-3-oxopropanoic acid
CID 114898215

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-ethylcyclohexyl)pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-(4-ethylcyclohexyl)pentanamide;hydrochloride (CID 120560101) is 4-amino-N-(4-ethylcyclohexyl)pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(4-ethylcyclohexyl)pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(4-ethylcyclohexyl)pentanamide;hydrochloride is CCC1CCC(NC(=O)CCC(C)N)CC1.Cl.
What is the InChIKey of 4-amino-N-(4-ethylcyclohexyl)pentanamide;hydrochloride?
The InChIKey is SZGHDOFQNUXLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-3-11-5-7-12(8-6-11)15-13(16)9-4-10(2)14;/h10-12H,3-9,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 4-amino-N-(4-ethylcyclohexyl)pentanamide;hydrochloride?
4-amino-N-(4-ethylcyclohexyl)pentanamide;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.62, 5 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)pentanamide;hydrochloride is sourced from PubChem (CID 120560101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).