1-amino-3-[butan-2-yl(methyl)amino]cyclohexane-1-carboxamide

C12H25N3O — CID 79636285

IUPAC1-amino-3-[butan-2-yl(methyl)amino]cyclohexane-1-carboxamide
SMILESCCC(C)N(C)C1CCCC(N)(C(N)=O)C1
InChIInChI=1S/C12H25N3O/c1-4-9(2)15(3)10-6-5-7-12(14,8-10)11(13)16/h9-10H,4-8,14H2,1-3H3,(H2,13,16)
InChIKeyZZWJAAQAZPDMRN-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.84
Rot. Bonds4

About 1-amino-3-[butan-2-yl(methyl)amino]cyclohexane-1-carboxamide

1-amino-3-[butan-2-yl(methyl)amino]cyclohexane-1-carboxamide (PubChem CID 79636285) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-amino-3-[butan-2-yl(methyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-[butan-2-yl(methyl)amino]cyclohexane-1-carboxamide
PubChem CID79636285
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-amino-3-[butan-2-yl(methyl)amino]cyclohexane-1-carboxamide
SMILESCCC(C)N(C)C1CCCC(N)(C(N)=O)C1
InChIInChI=1S/C12H25N3O/c1-4-9(2)15(3)10-6-5-7-12(14,8-10)11(13)16/h9-10H,4-8,14H2,1-3H3,(H2,13,16)
InChIKeyZZWJAAQAZPDMRN-UHFFFAOYSA-N
XLogP0.84
TPSA72.35 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 ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-[butan-2-yl(ethyl)amino]cyclohexane-1-carboxamide
CID 79635988
1-amino-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carboxamide
CID 79641958
3-[butan-2-yl(methyl)amino]-1-(propylamino)cyclohexane-1-carboxamide
CID 79636826
1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxamide
CID 79636493
1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxamide
CID 107870991
1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxamide
CID 79641424
1-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentane-1-carboxamide
CID 79655573
1-amino-3-[ethyl(2-methylpropyl)amino]cyclopentane-1-carboxamide
CID 79649570
1-amino-3-[methyl-(3-methylcyclohexyl)amino]cyclohexane-1-carboxamide
CID 79641814
1-amino-3-[bis(2-ethoxyethyl)amino]cyclohexane-1-carboxamide
CID 82940436
3-[methyl(pentan-3-yl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79636769
3-[butan-2-yl(methyl)amino]-1-(cyclopropylamino)cyclohexane-1-carboxylic acid
CID 79636593

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[butan-2-yl(methyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-[butan-2-yl(methyl)amino]cyclohexane-1-carboxamide (CID 79636285) is 1-amino-3-[butan-2-yl(methyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-[butan-2-yl(methyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-[butan-2-yl(methyl)amino]cyclohexane-1-carboxamide is CCC(C)N(C)C1CCCC(N)(C(N)=O)C1.
What is the InChIKey of 1-amino-3-[butan-2-yl(methyl)amino]cyclohexane-1-carboxamide?
The InChIKey is ZZWJAAQAZPDMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-9(2)15(3)10-6-5-7-12(14,8-10)11(13)16/h9-10H,4-8,14H2,1-3H3,(H2,13,16).
What are the key properties of 1-amino-3-[butan-2-yl(methyl)amino]cyclohexane-1-carboxamide?
1-amino-3-[butan-2-yl(methyl)amino]cyclohexane-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[butan-2-yl(methyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 79636285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).