2-[4-propyl-1-(propylamino)cycloheptyl]acetamide

C15H30N2O — CID 65235539

IUPAC2-[4-propyl-1-(propylamino)cycloheptyl]acetamide
SMILESCCCNC1(CC(N)=O)CCCC(CCC)CC1
InChIInChI=1S/C15H30N2O/c1-3-6-13-7-5-9-15(10-8-13,12-14(16)18)17-11-4-2/h13,17H,3-12H2,1-2H3,(H2,16,18)
InChIKeyRBPYLKILWUUILN-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.98
Rot. Bonds7

About 2-[4-propyl-1-(propylamino)cycloheptyl]acetamide

2-[4-propyl-1-(propylamino)cycloheptyl]acetamide (PubChem CID 65235539) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-[4-propyl-1-(propylamino)cycloheptyl]acetamide.

Molecular Properties

Compound Name2-[4-propyl-1-(propylamino)cycloheptyl]acetamide
PubChem CID65235539
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-[4-propyl-1-(propylamino)cycloheptyl]acetamide
SMILESCCCNC1(CC(N)=O)CCCC(CCC)CC1
InChIInChI=1S/C15H30N2O/c1-3-6-13-7-5-9-15(10-8-13,12-14(16)18)17-11-4-2/h13,17H,3-12H2,1-2H3,(H2,16,18)
InChIKeyRBPYLKILWUUILN-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-methyl-1-(propylamino)cyclohexyl]acetamide
CID 65236102
2-[1-(methylamino)-4-propylcycloheptyl]acetic acid
CID 65236883
3-[[1-(aminomethyl)-4-propylcycloheptyl]amino]propan-1-ol
CID 65377207
ethyl 2-[4-ethyl-1-(propylamino)cyclohexyl]acetate
CID 65236090
1-(methylamino)-4-propylcycloheptane-1-carboxamide
CID 65089354
2-[3-ethyl-1-(propylamino)cyclopentyl]acetic acid
CID 65233526
1-(methylamino)-4-propylcycloheptane-1-carboxylic acid
CID 65088677
ethyl 2-[1-(propylamino)cyclohexyl]acetate
CID 65235367
1-(cyclohexylamino)-4-propylcycloheptane-1-carboxamide
CID 65088965
1-(aminomethyl)-N-[(2-methylcyclopropyl)methyl]-4-propylcycloheptan-1-amine
CID 113464354
ethyl 2-[4-propan-2-yl-1-(propylamino)cyclohexyl]acetate
CID 65235883
ethyl 2-[4,4-dimethyl-1-(propylamino)cycloheptyl]acetate
CID 65235940

Frequently Asked Questions

What is the IUPAC name of 2-[4-propyl-1-(propylamino)cycloheptyl]acetamide?
The IUPAC name of 2-[4-propyl-1-(propylamino)cycloheptyl]acetamide (CID 65235539) is 2-[4-propyl-1-(propylamino)cycloheptyl]acetamide.
What is the SMILES notation for 2-[4-propyl-1-(propylamino)cycloheptyl]acetamide?
The canonical SMILES for 2-[4-propyl-1-(propylamino)cycloheptyl]acetamide is CCCNC1(CC(N)=O)CCCC(CCC)CC1.
What is the InChIKey of 2-[4-propyl-1-(propylamino)cycloheptyl]acetamide?
The InChIKey is RBPYLKILWUUILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-6-13-7-5-9-15(10-8-13,12-14(16)18)17-11-4-2/h13,17H,3-12H2,1-2H3,(H2,16,18).
What are the key properties of 2-[4-propyl-1-(propylamino)cycloheptyl]acetamide?
2-[4-propyl-1-(propylamino)cycloheptyl]acetamide has a molecular weight of 254.42 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-propyl-1-(propylamino)cycloheptyl]acetamide is sourced from PubChem (CID 65235539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).