2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-ethylpropanamide

C15H31N3O — CID 61211364

IUPAC2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C15H31N3O/c1-6-16-14(19)13(3)17-11-15(18(4)5)9-7-8-12(2)10-15/h12-13,17H,6-11H2,1-5H3,(H,16,19)
InChIKeyLIOSFBQZPUQZFB-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.61
Rot. Bonds6

About 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-ethylpropanamide

2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-ethylpropanamide (PubChem CID 61211364) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-ethylpropanamide
PubChem CID61211364
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C15H31N3O/c1-6-16-14(19)13(3)17-11-15(18(4)5)9-7-8-12(2)10-15/h12-13,17H,6-11H2,1-5H3,(H,16,19)
InChIKeyLIOSFBQZPUQZFB-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylbutanamide
CID 61211559
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide
CID 62668555
(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpentanamide
CID 61211747
methyl 3-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]butanoate
CID 61212301
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide
CID 61210809
1-[(hexan-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61212108
1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(1-hydroxybutan-2-yl)urea
CID 110902752
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3,3-dimethylbutanamide
CID 76895695
2-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide
CID 65229264
1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(1-hydroxypentan-3-yl)urea
CID 111454746
3-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide
CID 81086937
1-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclopropane-1-carboxamide
CID 115453085

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-ethylpropanamide?
The IUPAC name of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-ethylpropanamide (CID 61211364) is 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-ethylpropanamide is CCNC(=O)C(C)NCC1(N(C)C)CCCC(C)C1.
What is the InChIKey of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-ethylpropanamide?
The InChIKey is LIOSFBQZPUQZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-6-16-14(19)13(3)17-11-15(18(4)5)9-7-8-12(2)10-15/h12-13,17H,6-11H2,1-5H3,(H,16,19).
What are the key properties of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-ethylpropanamide?
2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-ethylpropanamide has a molecular weight of 269.43 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-ethylpropanamide is sourced from PubChem (CID 61211364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).