3-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-ethylpropanamide

C14H29N3O — CID 62325844

IUPAC3-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-ethylpropanamide
SMILESCCNC(=O)CCN(C)C1(CN)CCC(C)CC1
InChIInChI=1S/C14H29N3O/c1-4-16-13(18)7-10-17(3)14(11-15)8-5-12(2)6-9-14/h12H,4-11,15H2,1-3H3,(H,16,18)
InChIKeyRZUOOSFAFVWURG-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.35
Rot. Bonds6

About 3-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-ethylpropanamide

3-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-ethylpropanamide (PubChem CID 62325844) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-ethylpropanamide
PubChem CID62325844
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-ethylpropanamide
SMILESCCNC(=O)CCN(C)C1(CN)CCC(C)CC1
InChIInChI=1S/C14H29N3O/c1-4-16-13(18)7-10-17(3)14(11-15)8-5-12(2)6-9-14/h12H,4-11,15H2,1-3H3,(H,16,18)
InChIKeyRZUOOSFAFVWURG-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

3-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-ethylpropanamide
CID 62325485
3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylpropanamide
CID 62326757
1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N,4-dimethylcyclohexan-1-amine
CID 62006729
3-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N-methylpropanamide
CID 62326211
1-(aminomethyl)-N,4-dimethyl-N-propylcycloheptan-1-amine
CID 65084771
2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N-ethylacetamide
CID 62008520
2-[1-[[3-(ethylamino)-3-oxopropyl]-methylamino]cyclohexyl]acetic acid
CID 65243197
3-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-ethylpropanamide
CID 55061632
2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-cyclopropyl-N-methylacetamide
CID 62006209
1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 9161377
3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N,N-dimethylpropanamide
CID 62005272
2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 62006395

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-ethylpropanamide?
The IUPAC name of 3-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-ethylpropanamide (CID 62325844) is 3-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-ethylpropanamide.
What is the SMILES notation for 3-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-ethylpropanamide?
The canonical SMILES for 3-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-ethylpropanamide is CCNC(=O)CCN(C)C1(CN)CCC(C)CC1.
What is the InChIKey of 3-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-ethylpropanamide?
The InChIKey is RZUOOSFAFVWURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-16-13(18)7-10-17(3)14(11-15)8-5-12(2)6-9-14/h12H,4-11,15H2,1-3H3,(H,16,18).
What are the key properties of 3-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-ethylpropanamide?
3-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-ethylpropanamide 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-methylcyclohexyl]-methylamino]-N-ethylpropanamide is sourced from PubChem (CID 62325844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).