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

C17H35N3O — CID 79634123

IUPAC1-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]cyclohexane-1-carboxamide
SMILESCCC(CC)N(CC(C)C)C1CCCC(NC)(C(N)=O)C1
InChIInChI=1S/C17H35N3O/c1-6-14(7-2)20(12-13(3)4)15-9-8-10-17(11-15,19-5)16(18)21/h13-15,19H,6-12H2,1-5H3,(H2,18,21)
InChIKeyPMNGCVHJICCKHJ-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.52
Rot. Bonds8

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

1-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]cyclohexane-1-carboxamide (PubChem CID 79634123) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 1-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]cyclohexane-1-carboxamide
PubChem CID79634123
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name1-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]cyclohexane-1-carboxamide
SMILESCCC(CC)N(CC(C)C)C1CCCC(NC)(C(N)=O)C1
InChIInChI=1S/C17H35N3O/c1-6-14(7-2)20(12-13(3)4)15-9-8-10-17(11-15,19-5)16(18)21/h13-15,19H,6-12H2,1-5H3,(H2,18,21)
InChIKeyPMNGCVHJICCKHJ-UHFFFAOYSA-N
XLogP2.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-methoxyethyl(pentan-3-yl)amino]-1-(methylamino)cyclohexane-1-carboxamide
CID 79628023
1-(methylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carboxamide
CID 79642020
3-[methyl(pentan-3-yl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79636769
3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxamide
CID 79636529
1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxamide
CID 79636536
1-amino-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carboxamide
CID 79641958
3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxamide
CID 79654785
1-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide
CID 79636895
3-[butan-2-yl(methyl)amino]-1-(propylamino)cyclohexane-1-carboxamide
CID 79636826
methyl 3-[butan-2-yl(2-methoxyethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79627687
ethyl 1-(methylamino)-3-[methyl(4-methylpentan-2-yl)amino]cyclohexane-1-carboxylate
CID 79627851
ethyl 1-(methylamino)-3-[methyl(propan-2-yl)amino]cyclohexane-1-carboxylate
CID 79636967

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 1-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]cyclohexane-1-carboxamide (CID 79634123) is 1-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]cyclohexane-1-carboxamide is CCC(CC)N(CC(C)C)C1CCCC(NC)(C(N)=O)C1.
What is the InChIKey of 1-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is PMNGCVHJICCKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-6-14(7-2)20(12-13(3)4)15-9-8-10-17(11-15,19-5)16(18)21/h13-15,19H,6-12H2,1-5H3,(H2,18,21).
What are the key properties of 1-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]cyclohexane-1-carboxamide?
1-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 297.49 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 79634123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).