1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxamide

C14H29N3O — CID 107449317

IUPAC1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C1CCCC(NCCN(C)C)(C(N)=O)C1
InChIInChI=1S/C14H29N3O/c1-11(2)12-6-5-7-14(10-12,13(15)18)16-8-9-17(3)4/h11-12,16H,5-10H2,1-4H3,(H2,15,18)
InChIKeyPJDBLWCOKXJBTG-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.21
Rot. Bonds6

About 1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxamide

1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 107449317) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxamide
PubChem CID107449317
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C1CCCC(NCCN(C)C)(C(N)=O)C1
InChIInChI=1S/C14H29N3O/c1-11(2)12-6-5-7-14(10-12,13(15)18)16-8-9-17(3)4/h11-12,16H,5-10H2,1-4H3,(H2,15,18)
InChIKeyPJDBLWCOKXJBTG-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)ethylamino]cyclobutane-1-carboxamide
CID 60996759
1-[2-(diethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 107449379
4-propan-2-yl-1-(propylamino)cycloheptane-1-carboxamide
CID 65088722
1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carbonitrile
CID 107449291
3-[butan-2-yl(methyl)amino]-1-(propylamino)cyclohexane-1-carboxamide
CID 79636826
1-[2-(dimethylamino)ethylamino]-2-methylcyclopentane-1-carboxamide
CID 65045175
methyl 1-[2-(dimethylamino)ethylamino]-3-methylcyclohexane-1-carboxylate
CID 54895132
1-[2-(dimethylamino)ethylamino]-3,3-dimethylcyclopentane-1-carboxamide
CID 80705706
3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(propylamino)cyclohexane-1-carboxamide
CID 79628730
3-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide
CID 79636670
1-(ethylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carboxamide
CID 79645390
1-(2-azidoethylamino)-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 107449457

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxamide (CID 107449317) is 1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxamide is CC(C)C1CCCC(NCCN(C)C)(C(N)=O)C1.
What is the InChIKey of 1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is PJDBLWCOKXJBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)12-6-5-7-14(10-12,13(15)18)16-8-9-17(3)4/h11-12,16H,5-10H2,1-4H3,(H2,15,18).
What are the key properties of 1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxamide?
1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 255.41 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 107449317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).