3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylpropanamide

C14H29N3O — CID 62326757

IUPAC3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylpropanamide
SMILESCCC1CCC(CN)(N(C)CCC(=O)NC)CC1
InChIInChI=1S/C14H29N3O/c1-4-12-5-8-14(11-15,9-6-12)17(3)10-7-13(18)16-2/h12H,4-11,15H2,1-3H3,(H,16,18)
InChIKeyPAHDHWIHSRWSPZ-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.35
Rot. Bonds6

About 3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylpropanamide

3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylpropanamide (PubChem CID 62326757) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylpropanamide
PubChem CID62326757
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylpropanamide
SMILESCCC1CCC(CN)(N(C)CCC(=O)NC)CC1
InChIInChI=1S/C14H29N3O/c1-4-12-5-8-14(11-15,9-6-12)17(3)10-7-13(18)16-2/h12H,4-11,15H2,1-3H3,(H,16,18)
InChIKeyPAHDHWIHSRWSPZ-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylbutanamide
CID 63890528
3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N,N-dimethylpropanamide
CID 62005272
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-propan-2-ylacetamide
CID 62008910
3-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-ethylpropanamide
CID 62325844
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-ethyl-N-methylacetamide
CID 62008114
1-(aminomethyl)-4-ethyl-N,N-dimethylcyclohexan-1-amine
CID 24692899
N'-[1-(aminomethyl)-4-ethylcyclohexyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694995
3-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N-methylpropanamide
CID 62326211
3-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-ethylpropanamide
CID 62325485
1-(aminomethyl)-N-(3-ethoxypropyl)-4-ethyl-N-methylcyclohexan-1-amine
CID 65176634
3-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-propan-2-ylpropanamide
CID 55098337
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-carbamoylacetamide
CID 62009108

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylpropanamide (CID 62326757) is 3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylpropanamide is CCC1CCC(CN)(N(C)CCC(=O)NC)CC1.
What is the InChIKey of 3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylpropanamide?
The InChIKey is PAHDHWIHSRWSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-12-5-8-14(11-15,9-6-12)17(3)10-7-13(18)16-2/h12H,4-11,15H2,1-3H3,(H,16,18).
What are the key properties of 3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylpropanamide?
3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylpropanamide has a molecular weight of 255.41 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 62326757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).