3-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-ethylpropanamide

C13H27N3O — CID 62325485

IUPAC3-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-ethylpropanamide
SMILESCCNC(=O)CCN(C)C1(CN)CCCCC1
InChIInChI=1S/C13H27N3O/c1-3-15-12(17)7-10-16(2)13(11-14)8-5-4-6-9-13/h3-11,14H2,1-2H3,(H,15,17)
InChIKeyZILWLXSUUIWAEJ-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.11
Rot. Bonds6

About 3-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-ethylpropanamide

3-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-ethylpropanamide (PubChem CID 62325485) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-ethylpropanamide
PubChem CID62325485
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-ethylpropanamide
SMILESCCNC(=O)CCN(C)C1(CN)CCCCC1
InChIInChI=1S/C13H27N3O/c1-3-15-12(17)7-10-16(2)13(11-14)8-5-4-6-9-13/h3-11,14H2,1-2H3,(H,15,17)
InChIKeyZILWLXSUUIWAEJ-UHFFFAOYSA-N
XLogP1.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N-ethylacetamide
CID 62008520
2-[1-[[3-(ethylamino)-3-oxopropyl]-methylamino]cyclohexyl]acetic acid
CID 65243197
3-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-ethylpropanamide
CID 62325844
3-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-ethylpropanamide
CID 55061632
3-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-propan-2-ylpropanamide
CID 55098337
2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N,N-diethylacetamide
CID 62008324
3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylpropanamide
CID 62326757
2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 62004877
1-(aminomethyl)-N-decyl-N-methylcycloheptan-1-amine
CID 63481336
2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-butan-2-ylacetamide
CID 62010140
2-[[1-(aminomethyl)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone
CID 62004874
1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclododecan-1-amine
CID 115985606

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-ethylpropanamide?
The IUPAC name of 3-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-ethylpropanamide (CID 62325485) is 3-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-ethylpropanamide.
What is the SMILES notation for 3-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-ethylpropanamide?
The canonical SMILES for 3-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-ethylpropanamide is CCNC(=O)CCN(C)C1(CN)CCCCC1.
What is the InChIKey of 3-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-ethylpropanamide?
The InChIKey is ZILWLXSUUIWAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-15-12(17)7-10-16(2)13(11-14)8-5-4-6-9-13/h3-11,14H2,1-2H3,(H,15,17).
What are the key properties of 3-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-ethylpropanamide?
3-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-ethylpropanamide has a molecular weight of 241.38 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-ethylpropanamide is sourced from PubChem (CID 62325485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).