N-[2-(aminomethyl)cyclohexyl]-N',N'-dipropylpentanediamide

C18H35N3O2 — CID 119612503

IUPACN-[2-(aminomethyl)cyclohexyl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NC1CCCCC1CN
InChIInChI=1S/C18H35N3O2/c1-3-12-21(13-4-2)18(23)11-7-10-17(22)20-16-9-6-5-8-15(16)14-19/h15-16H,3-14,19H2,1-2H3,(H,20,22)
InChIKeyYXKZOAAHUSKCIQ-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.44
Rot. Bonds10

About N-[2-(aminomethyl)cyclohexyl]-N',N'-dipropylpentanediamide

N-[2-(aminomethyl)cyclohexyl]-N',N'-dipropylpentanediamide (PubChem CID 119612503) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-N',N'-dipropylpentanediamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-N',N'-dipropylpentanediamide
PubChem CID119612503
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NC1CCCCC1CN
InChIInChI=1S/C18H35N3O2/c1-3-12-21(13-4-2)18(23)11-7-10-17(22)20-16-9-6-5-8-15(16)14-19/h15-16H,3-14,19H2,1-2H3,(H,20,22)
InChIKeyYXKZOAAHUSKCIQ-UHFFFAOYSA-N
XLogP2.44
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]pentanamide
CID 62957090
N-[2-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride
CID 119602223
N-[2-(aminomethyl)cyclohexyl]-5-methylsulfanylpentanamide
CID 119609946
N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide
CID 119612594
N-[2-(aminomethyl)cyclopentyl]-4-methoxybutanamide;hydrochloride
CID 119601417
N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide;hydrochloride
CID 119612593
N-[2-(aminomethyl)cyclohexyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119612520
N-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride
CID 119611809
N-(3-methylpiperidin-4-yl)-N',N'-dipropylpentanediamide
CID 120557827
N'-[2-(aminomethyl)cyclopentyl]-N-propylbutanediamide;hydrochloride
CID 119604127
N-[2-(bromomethyl)cyclohexyl]pentanamide
CID 106367298
N-[2-(aminomethyl)cyclopentyl]-4,4-dimethylpentanamide;hydrochloride
CID 119605302

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N',N'-dipropylpentanediamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N',N'-dipropylpentanediamide (CID 119612503) is N-[2-(aminomethyl)cyclohexyl]-N',N'-dipropylpentanediamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-N',N'-dipropylpentanediamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-N',N'-dipropylpentanediamide is CCCN(CCC)C(=O)CCCC(=O)NC1CCCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-N',N'-dipropylpentanediamide?
The InChIKey is YXKZOAAHUSKCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-3-12-21(13-4-2)18(23)11-7-10-17(22)20-16-9-6-5-8-15(16)14-19/h15-16H,3-14,19H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-N',N'-dipropylpentanediamide?
N-[2-(aminomethyl)cyclohexyl]-N',N'-dipropylpentanediamide has a molecular weight of 325.50 g/mol, XLogP of 2.44, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-N',N'-dipropylpentanediamide is sourced from PubChem (CID 119612503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).