3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylcyclohexane-1-carboxamide

C15H31N3O — CID 103191959

IUPAC3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylcyclohexane-1-carboxamide
SMILESCCN(C(=O)C1CCCC(N)C1C)C(C)CN(C)C
InChIInChI=1S/C15H31N3O/c1-6-18(11(2)10-17(4)5)15(19)13-8-7-9-14(16)12(13)3/h11-14H,6-10,16H2,1-5H3
InChIKeyFEKFSKRWNDNKFH-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.55
Rot. Bonds5

About 3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylcyclohexane-1-carboxamide

3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylcyclohexane-1-carboxamide (PubChem CID 103191959) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylcyclohexane-1-carboxamide
PubChem CID103191959
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylcyclohexane-1-carboxamide
SMILESCCN(C(=O)C1CCCC(N)C1C)C(C)CN(C)C
InChIInChI=1S/C15H31N3O/c1-6-18(11(2)10-17(4)5)15(19)13-8-7-9-14(16)12(13)3/h11-14H,6-10,16H2,1-5H3
InChIKeyFEKFSKRWNDNKFH-UHFFFAOYSA-N
XLogP1.55
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N,N-diethyl-2-methylcyclohexane-1-carboxamide
CID 62777725
2-amino-N-ethyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 64824092
4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyloxolane-3-carboxamide
CID 103188603
3-amino-N,2-dimethyl-N-(4-methylpentan-2-yl)cyclohexane-1-carboxamide
CID 55115501
3-amino-N-cyclopentyl-N-ethyl-2-methylcyclohexane-1-carboxamide
CID 55116462
3-amino-2-methyl-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide
CID 107871513
2-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 103187928
3-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 81074150
2-amino-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide
CID 82937442
3-amino-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 62782674
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-methylpyrrolidine-2-carboxamide
CID 103188683
3-amino-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide
CID 55116859

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylcyclohexane-1-carboxamide (CID 103191959) is 3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylcyclohexane-1-carboxamide is CCN(C(=O)C1CCCC(N)C1C)C(C)CN(C)C.
What is the InChIKey of 3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylcyclohexane-1-carboxamide?
The InChIKey is FEKFSKRWNDNKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-6-18(11(2)10-17(4)5)15(19)13-8-7-9-14(16)12(13)3/h11-14H,6-10,16H2,1-5H3.
What are the key properties of 3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylcyclohexane-1-carboxamide?
3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylcyclohexane-1-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 103191959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).