N-(4-aminocyclohexyl)-2-[1-(aminomethyl)cyclohexyl]acetamide

C15H29N3O — CID 104678121

IUPACN-(4-aminocyclohexyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
SMILESNCC1(CC(=O)NC2CCC(N)CC2)CCCCC1
InChIInChI=1S/C15H29N3O/c16-11-15(8-2-1-3-9-15)10-14(19)18-13-6-4-12(17)5-7-13/h12-13H,1-11,16-17H2,(H,18,19)
InChIKeyOKCLKUVNFOHSQT-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.67
Rot. Bonds4

About N-(4-aminocyclohexyl)-2-[1-(aminomethyl)cyclohexyl]acetamide

N-(4-aminocyclohexyl)-2-[1-(aminomethyl)cyclohexyl]acetamide (PubChem CID 104678121) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-[1-(aminomethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
PubChem CID104678121
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-(4-aminocyclohexyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
SMILESNCC1(CC(=O)NC2CCC(N)CC2)CCCCC1
InChIInChI=1S/C15H29N3O/c16-11-15(8-2-1-3-9-15)10-14(19)18-13-6-4-12(17)5-7-13/h12-13H,1-11,16-17H2,(H,18,19)
InChIKeyOKCLKUVNFOHSQT-UHFFFAOYSA-N
XLogP1.67
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-cyclohexylacetamide
CID 104677352
2-(1-aminocyclohexyl)-N-(4-aminocyclohexyl)acetamide
CID 64676633
2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide
CID 104677721
2-[1-(aminomethyl)cyclohexyl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 104677414
2-[1-(aminomethyl)cyclobutyl]-N-(4-methylsulfanylcyclohexyl)acetamide
CID 114123049
1-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 55062097
2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpyrrolidin-3-yl)acetamide
CID 104678068
2-[1-(aminomethyl)cyclobutyl]-N-(1,1-dioxothian-3-yl)acetamide
CID 81168499
2-[1-(aminomethyl)cyclohexyl]-N-(1-ethylpiperidin-3-yl)acetamide
CID 104677930
2-[1-(aminomethyl)cyclobutyl]-N-(3-ethylsulfanylcyclopentyl)acetamide
CID 114123170
2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
CID 59780086
2-[1-(aminomethyl)cyclobutyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 81172967

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-[1-(aminomethyl)cyclohexyl]acetamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-[1-(aminomethyl)cyclohexyl]acetamide (CID 104678121) is N-(4-aminocyclohexyl)-2-[1-(aminomethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-[1-(aminomethyl)cyclohexyl]acetamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-[1-(aminomethyl)cyclohexyl]acetamide is NCC1(CC(=O)NC2CCC(N)CC2)CCCCC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-[1-(aminomethyl)cyclohexyl]acetamide?
The InChIKey is OKCLKUVNFOHSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c16-11-15(8-2-1-3-9-15)10-14(19)18-13-6-4-12(17)5-7-13/h12-13H,1-11,16-17H2,(H,18,19).
What are the key properties of N-(4-aminocyclohexyl)-2-[1-(aminomethyl)cyclohexyl]acetamide?
N-(4-aminocyclohexyl)-2-[1-(aminomethyl)cyclohexyl]acetamide has a molecular weight of 267.42 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-[1-(aminomethyl)cyclohexyl]acetamide is sourced from PubChem (CID 104678121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).