3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(propylamino)cyclohexane-1-carboxamide

C16H32N4O — CID 79628730

IUPAC3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(propylamino)cyclohexane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC(N2CCC(N(C)C)C2)C1
InChIInChI=1S/C16H32N4O/c1-4-9-18-16(15(17)21)8-5-6-13(11-16)20-10-7-14(12-20)19(2)3/h13-14,18H,4-12H2,1-3H3,(H2,17,21)
InChIKeyYBADGPPHGLQFKK-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.79
Rot. Bonds6

About 3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(propylamino)cyclohexane-1-carboxamide

3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(propylamino)cyclohexane-1-carboxamide (PubChem CID 79628730) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(propylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(propylamino)cyclohexane-1-carboxamide
PubChem CID79628730
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(propylamino)cyclohexane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC(N2CCC(N(C)C)C2)C1
InChIInChI=1S/C16H32N4O/c1-4-9-18-16(15(17)21)8-5-6-13(11-16)20-10-7-14(12-20)19(2)3/h13-14,18H,4-12H2,1-3H3,(H2,17,21)
InChIKeyYBADGPPHGLQFKK-UHFFFAOYSA-N
XLogP0.79
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79628661
3-(3,4-dimethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79641656
3-(4-ethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79626289
3-[4-(dimethylamino)piperidin-1-yl]-1-(methylamino)cyclohexane-1-carboxamide
CID 79636383
3-(2-ethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79636030
3-(2-ethylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79626937
3-(2-methylazepan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79633722
1-(cyclopropylamino)-3-[3-(dimethylamino)piperidin-1-yl]cyclopentane-1-carboxamide
CID 79645673
3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
CID 79628200
3-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide
CID 79636670
3-[butan-2-yl(methyl)amino]-1-(propylamino)cyclohexane-1-carboxamide
CID 79636826
1-(ethylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide
CID 79641984

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(propylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(propylamino)cyclohexane-1-carboxamide (CID 79628730) is 3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(propylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(propylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(propylamino)cyclohexane-1-carboxamide is CCCNC1(C(N)=O)CCCC(N2CCC(N(C)C)C2)C1.
What is the InChIKey of 3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(propylamino)cyclohexane-1-carboxamide?
The InChIKey is YBADGPPHGLQFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-4-9-18-16(15(17)21)8-5-6-13(11-16)20-10-7-14(12-20)19(2)3/h13-14,18H,4-12H2,1-3H3,(H2,17,21).
What are the key properties of 3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(propylamino)cyclohexane-1-carboxamide?
3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(propylamino)cyclohexane-1-carboxamide has a molecular weight of 296.46 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(propylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79628730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).