2-[[1-(aminomethyl)cyclohexyl]-propylamino]-N-propylacetamide

C15H31N3O — CID 62006019

IUPAC2-[[1-(aminomethyl)cyclohexyl]-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)C1(CN)CCCCC1
InChIInChI=1S/C15H31N3O/c1-3-10-17-14(19)12-18(11-4-2)15(13-16)8-6-5-7-9-15/h3-13,16H2,1-2H3,(H,17,19)
InChIKeyCNURHKSGHSYOLY-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.89
Rot. Bonds8

About 2-[[1-(aminomethyl)cyclohexyl]-propylamino]-N-propylacetamide

2-[[1-(aminomethyl)cyclohexyl]-propylamino]-N-propylacetamide (PubChem CID 62006019) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cyclohexyl]-propylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cyclohexyl]-propylamino]-N-propylacetamide
PubChem CID62006019
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[[1-(aminomethyl)cyclohexyl]-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)C1(CN)CCCCC1
InChIInChI=1S/C15H31N3O/c1-3-10-17-14(19)12-18(11-4-2)15(13-16)8-6-5-7-9-15/h3-13,16H2,1-2H3,(H,17,19)
InChIKeyCNURHKSGHSYOLY-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-propylacetamide
CID 62007946
2-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-propan-2-ylacetamide
CID 62007739
2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62009544
2-[[1-(aminomethyl)cyclopentyl]-propylamino]-1-piperidin-1-ylethanone
CID 62010554
2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-(3-methylbutyl)acetamide
CID 62008536
2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(oxan-4-yl)acetamide
CID 63097786
4-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-methylbutanamide
CID 63890957
2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N-ethylacetamide
CID 62008520
2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-propan-2-ylacetamide
CID 62007529
2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-pentan-2-ylacetamide
CID 62008327
2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 62004877
1-(aminomethyl)-N-pentyl-N-propylcyclohexan-1-amine
CID 62006023

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cyclohexyl]-propylamino]-N-propylacetamide?
The IUPAC name of 2-[[1-(aminomethyl)cyclohexyl]-propylamino]-N-propylacetamide (CID 62006019) is 2-[[1-(aminomethyl)cyclohexyl]-propylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[1-(aminomethyl)cyclohexyl]-propylamino]-N-propylacetamide?
The canonical SMILES for 2-[[1-(aminomethyl)cyclohexyl]-propylamino]-N-propylacetamide is CCCNC(=O)CN(CCC)C1(CN)CCCCC1.
What is the InChIKey of 2-[[1-(aminomethyl)cyclohexyl]-propylamino]-N-propylacetamide?
The InChIKey is CNURHKSGHSYOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-10-17-14(19)12-18(11-4-2)15(13-16)8-6-5-7-9-15/h3-13,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[[1-(aminomethyl)cyclohexyl]-propylamino]-N-propylacetamide?
2-[[1-(aminomethyl)cyclohexyl]-propylamino]-N-propylacetamide has a molecular weight of 269.43 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cyclohexyl]-propylamino]-N-propylacetamide is sourced from PubChem (CID 62006019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).