1-amino-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carboxamide

C14H29N3O — CID 79641958

IUPAC1-amino-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carboxamide
SMILESCC(C)CN(C(C)C)C1CCCC(N)(C(N)=O)C1
InChIInChI=1S/C14H29N3O/c1-10(2)9-17(11(3)4)12-6-5-7-14(16,8-12)13(15)18/h10-12H,5-9,16H2,1-4H3,(H2,15,18)
InChIKeyRFLOQWYIBCWEHL-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.48
Rot. Bonds5

About 1-amino-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carboxamide

1-amino-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carboxamide (PubChem CID 79641958) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-amino-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carboxamide
PubChem CID79641958
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-amino-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carboxamide
SMILESCC(C)CN(C(C)C)C1CCCC(N)(C(N)=O)C1
InChIInChI=1S/C14H29N3O/c1-10(2)9-17(11(3)4)12-6-5-7-14(16,8-12)13(15)18/h10-12H,5-9,16H2,1-4H3,(H2,15,18)
InChIKeyRFLOQWYIBCWEHL-UHFFFAOYSA-N
XLogP1.48
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.48
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-[bis(3-methylbutyl)amino]cyclohexane-1-carboxamide
CID 107870991
1-amino-3-[butan-2-yl(methyl)amino]cyclohexane-1-carboxamide
CID 79636285
1-amino-3-[ethyl(2-methylpropyl)amino]cyclopentane-1-carboxamide
CID 79649570
1-amino-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylic acid
CID 79636910
1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxamide
CID 79641424
methyl 1-amino-3-[methyl(2-methylpropyl)amino]cyclohexane-1-carboxylate
CID 79636591
1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxamide
CID 79636493
1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid
CID 107871020
1-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]cyclohexane-1-carboxamide
CID 79634123
1-amino-3-[methyl-(3-methylcyclohexyl)amino]cyclohexane-1-carboxamide
CID 79641814
1-amino-3-[bis(2-ethoxyethyl)amino]cyclohexane-1-carboxamide
CID 82940436

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carboxamide (CID 79641958) is 1-amino-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carboxamide is CC(C)CN(C(C)C)C1CCCC(N)(C(N)=O)C1.
What is the InChIKey of 1-amino-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is RFLOQWYIBCWEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-10(2)9-17(11(3)4)12-6-5-7-14(16,8-12)13(15)18/h10-12H,5-9,16H2,1-4H3,(H2,15,18).
What are the key properties of 1-amino-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carboxamide?
1-amino-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 255.41 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 79641958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).