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

C15H31N3O — CID 79636826

IUPAC3-[butan-2-yl(methyl)amino]-1-(propylamino)cyclohexane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC(N(C)C(C)CC)C1
InChIInChI=1S/C15H31N3O/c1-5-10-17-15(14(16)19)9-7-8-13(11-15)18(4)12(3)6-2/h12-13,17H,5-11H2,1-4H3,(H2,16,19)
InChIKeyJAGKSUUZAKEJLO-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.88
Rot. Bonds7

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

3-[butan-2-yl(methyl)amino]-1-(propylamino)cyclohexane-1-carboxamide (PubChem CID 79636826) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-[butan-2-yl(methyl)amino]-1-(propylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-[butan-2-yl(methyl)amino]-1-(propylamino)cyclohexane-1-carboxamide
PubChem CID79636826
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-[butan-2-yl(methyl)amino]-1-(propylamino)cyclohexane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC(N(C)C(C)CC)C1
InChIInChI=1S/C15H31N3O/c1-5-10-17-15(14(16)19)9-7-8-13(11-15)18(4)12(3)6-2/h12-13,17H,5-11H2,1-4H3,(H2,16,19)
InChIKeyJAGKSUUZAKEJLO-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-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide
CID 79636670
1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxamide
CID 79636536
3-[methyl(pentan-3-yl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79636769
3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexane-1-carboxamide
CID 79626971
1-amino-3-[butan-2-yl(methyl)amino]cyclohexane-1-carboxamide
CID 79636285
3-[butan-2-yl(methyl)amino]-1-(cyclopropylamino)cyclohexane-1-carboxylic acid
CID 79636593
4-propan-2-yl-1-(propylamino)cycloheptane-1-carboxamide
CID 65088722
3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(propylamino)cyclohexane-1-carboxamide
CID 79628730
3-[cyclopropylmethyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide
CID 79641470
3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79628661
3-(3,4-dimethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79641656
1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxamide
CID 107449317

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(methyl)amino]-1-(propylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-[butan-2-yl(methyl)amino]-1-(propylamino)cyclohexane-1-carboxamide (CID 79636826) is 3-[butan-2-yl(methyl)amino]-1-(propylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-[butan-2-yl(methyl)amino]-1-(propylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-[butan-2-yl(methyl)amino]-1-(propylamino)cyclohexane-1-carboxamide is CCCNC1(C(N)=O)CCCC(N(C)C(C)CC)C1.
What is the InChIKey of 3-[butan-2-yl(methyl)amino]-1-(propylamino)cyclohexane-1-carboxamide?
The InChIKey is JAGKSUUZAKEJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-10-17-15(14(16)19)9-7-8-13(11-15)18(4)12(3)6-2/h12-13,17H,5-11H2,1-4H3,(H2,16,19).
What are the key properties of 3-[butan-2-yl(methyl)amino]-1-(propylamino)cyclohexane-1-carboxamide?
3-[butan-2-yl(methyl)amino]-1-(propylamino)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 3-[butan-2-yl(methyl)amino]-1-(propylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79636826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).