1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxamide

C15H31N3O — CID 79636536

IUPAC1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC(N(C)C(CC)CC)C1
InChIInChI=1S/C15H31N3O/c1-5-12(6-2)18(4)13-9-8-10-15(11-13,14(16)19)17-7-3/h12-13,17H,5-11H2,1-4H3,(H2,16,19)
InChIKeyBPCWALPCZQXOCA-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.88
Rot. Bonds7

About 1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxamide

1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxamide (PubChem CID 79636536) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxamide
PubChem CID79636536
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC(N(C)C(CC)CC)C1
InChIInChI=1S/C15H31N3O/c1-5-12(6-2)18(4)13-9-8-10-15(11-13,14(16)19)17-7-3/h12-13,17H,5-11H2,1-4H3,(H2,16,19)
InChIKeyBPCWALPCZQXOCA-UHFFFAOYSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(pentan-3-yl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79636769
methyl 1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxylate
CID 79636151
3-[cyclopropylmethyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide
CID 79641470
3-[butan-2-yl(methyl)amino]-1-(propylamino)cyclohexane-1-carboxamide
CID 79636826
1-(ethylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxamide
CID 79641468
1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxamide
CID 82743164
[1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexyl]methanol
CID 79641023
3-[bis(2-methoxyethyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide
CID 79627693
1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxamide
CID 79633998
1-(ethylamino)-3-[methyl(2-methylpropyl)amino]cyclopentane-1-carboxamide
CID 79649949
3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79641743
1-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]cyclohexane-1-carboxamide
CID 79634123

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxamide (CID 79636536) is 1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxamide is CCNC1(C(N)=O)CCCC(N(C)C(CC)CC)C1.
What is the InChIKey of 1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is BPCWALPCZQXOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-12(6-2)18(4)13-9-8-10-15(11-13,14(16)19)17-7-3/h12-13,17H,5-11H2,1-4H3,(H2,16,19).
What are the key properties of 1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxamide?
1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 79636536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).