4-propan-2-yl-1-(propylamino)cycloheptane-1-carboxamide

C14H28N2O — CID 65088722

IUPAC4-propan-2-yl-1-(propylamino)cycloheptane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC(C(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-4-10-16-14(13(15)17)8-5-6-12(7-9-14)11(2)3/h11-12,16H,4-10H2,1-3H3,(H2,15,17)
InChIKeyYUTVZOPNEKLONM-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.45
Rot. Bonds5

About 4-propan-2-yl-1-(propylamino)cycloheptane-1-carboxamide

4-propan-2-yl-1-(propylamino)cycloheptane-1-carboxamide (PubChem CID 65088722) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-propan-2-yl-1-(propylamino)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name4-propan-2-yl-1-(propylamino)cycloheptane-1-carboxamide
PubChem CID65088722
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-propan-2-yl-1-(propylamino)cycloheptane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC(C(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-4-10-16-14(13(15)17)8-5-6-12(7-9-14)11(2)3/h11-12,16H,4-10H2,1-3H3,(H2,15,17)
InChIKeyYUTVZOPNEKLONM-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexylamino)-4-propan-2-ylcycloheptane-1-carboxamide
CID 65089013
1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxamide
CID 107449317
3-[butan-2-yl(methyl)amino]-1-(propylamino)cyclohexane-1-carboxamide
CID 79636826
4-(2-methylbutan-2-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 60795512
3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79628661
3-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide
CID 79636670
ethyl 2-[4-propan-2-yl-1-(propylamino)cyclohexyl]acetate
CID 65235883
3-(3,4-dimethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79641656
methyl 2-[3-propan-2-yl-1-(propylamino)cyclohexyl]acetate
CID 107450553
ethyl 4-propan-2-yl-1-(2,2,2-trifluoroethylamino)cycloheptane-1-carboxylate
CID 65089118
3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclohexane-1-carboxamide
CID 79637925
1-(ethylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carboxamide
CID 79645390

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-(propylamino)cycloheptane-1-carboxamide?
The IUPAC name of 4-propan-2-yl-1-(propylamino)cycloheptane-1-carboxamide (CID 65088722) is 4-propan-2-yl-1-(propylamino)cycloheptane-1-carboxamide.
What is the SMILES notation for 4-propan-2-yl-1-(propylamino)cycloheptane-1-carboxamide?
The canonical SMILES for 4-propan-2-yl-1-(propylamino)cycloheptane-1-carboxamide is CCCNC1(C(N)=O)CCCC(C(C)C)CC1.
What is the InChIKey of 4-propan-2-yl-1-(propylamino)cycloheptane-1-carboxamide?
The InChIKey is YUTVZOPNEKLONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-10-16-14(13(15)17)8-5-6-12(7-9-14)11(2)3/h11-12,16H,4-10H2,1-3H3,(H2,15,17).
What are the key properties of 4-propan-2-yl-1-(propylamino)cycloheptane-1-carboxamide?
4-propan-2-yl-1-(propylamino)cycloheptane-1-carboxamide has a molecular weight of 240.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-(propylamino)cycloheptane-1-carboxamide is sourced from PubChem (CID 65088722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).