3-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide

C16H33N3O — CID 79636670

IUPAC3-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC(N(CCC)CCC)C1
InChIInChI=1S/C16H33N3O/c1-4-10-18-16(15(17)20)9-7-8-14(13-16)19(11-5-2)12-6-3/h14,18H,4-13H2,1-3H3,(H2,17,20)
InChIKeyVADAMSPGAOQAHA-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.27
Rot. Bonds9

About 3-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide

3-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide (PubChem CID 79636670) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 3-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide
PubChem CID79636670
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name3-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC(N(CCC)CCC)C1
InChIInChI=1S/C16H33N3O/c1-4-10-18-16(15(17)20)9-7-8-14(13-16)19(11-5-2)12-6-3/h14,18H,4-13H2,1-3H3,(H2,17,20)
InChIKeyVADAMSPGAOQAHA-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide (CID 79636670) is 3-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide is CCCNC1(C(N)=O)CCCC(N(CCC)CCC)C1.
What is the InChIKey of 3-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide?
The InChIKey is VADAMSPGAOQAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-4-10-18-16(15(17)20)9-7-8-14(13-16)19(11-5-2)12-6-3/h14,18H,4-13H2,1-3H3,(H2,17,20).
What are the key properties of 3-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide?
3-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide has a molecular weight of 283.46 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79636670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).