1-amino-N-[1-(dimethylamino)propan-2-yl]cyclohexane-1-carboxamide

C12H25N3O — CID 82945894

IUPAC1-amino-N-[1-(dimethylamino)propan-2-yl]cyclohexane-1-carboxamide
SMILESCC(CN(C)C)NC(=O)C1(N)CCCCC1
InChIInChI=1S/C12H25N3O/c1-10(9-15(2)3)14-11(16)12(13)7-5-4-6-8-12/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyOTXJAGDYRLPYDD-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.71
Rot. Bonds4

About 1-amino-N-[1-(dimethylamino)propan-2-yl]cyclohexane-1-carboxamide

1-amino-N-[1-(dimethylamino)propan-2-yl]cyclohexane-1-carboxamide (PubChem CID 82945894) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-amino-N-[1-(dimethylamino)propan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(dimethylamino)propan-2-yl]cyclohexane-1-carboxamide
PubChem CID82945894
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-amino-N-[1-(dimethylamino)propan-2-yl]cyclohexane-1-carboxamide
SMILESCC(CN(C)C)NC(=O)C1(N)CCCCC1
InChIInChI=1S/C12H25N3O/c1-10(9-15(2)3)14-11(16)12(13)7-5-4-6-8-12/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyOTXJAGDYRLPYDD-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119263591
1-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopentane-1-carboxamide
CID 54924699
1-cyano-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide
CID 82938688
1-amino-N-(4-methoxybutan-2-yl)cyclopentane-1-carboxamide
CID 64606072
1-amino-N-(4-cyclohexylbutan-2-yl)cyclopentane-1-carboxamide
CID 119327905
N-[1-(dimethylamino)propan-2-yl]-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 82950387
1-amino-N-pentan-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119263350
1-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 106344921
1-amino-N',N'-dimethylcyclohexane-1-carbohydrazide
CID 83021408
1-amino-N-heptan-2-ylcyclobutane-1-carboxamide
CID 81179948
1-amino-N-(4-ethylsulfanylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119327797
1-amino-N-[(2S)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 93315414

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(dimethylamino)propan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(dimethylamino)propan-2-yl]cyclohexane-1-carboxamide (CID 82945894) is 1-amino-N-[1-(dimethylamino)propan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(dimethylamino)propan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(dimethylamino)propan-2-yl]cyclohexane-1-carboxamide is CC(CN(C)C)NC(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-[1-(dimethylamino)propan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is OTXJAGDYRLPYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10(9-15(2)3)14-11(16)12(13)7-5-4-6-8-12/h10H,4-9,13H2,1-3H3,(H,14,16).
What are the key properties of 1-amino-N-[1-(dimethylamino)propan-2-yl]cyclohexane-1-carboxamide?
1-amino-N-[1-(dimethylamino)propan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(dimethylamino)propan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 82945894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).