1-(benzylamino)-4-methylcycloheptane-1-carboxamide

C16H24N2O — CID 65084787

IUPAC1-(benzylamino)-4-methylcycloheptane-1-carboxamide
SMILESCC1CCCC(NCc2ccccc2)(C(N)=O)CC1
InChIInChI=1S/C16H24N2O/c1-13-6-5-10-16(11-9-13,15(17)19)18-12-14-7-3-2-4-8-14/h2-4,7-8,13,18H,5-6,9-12H2,1H3,(H2,17,19)
InChIKeyYLRRBOLNOJSLSL-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.60
Rot. Bonds4

About 1-(benzylamino)-4-methylcycloheptane-1-carboxamide

1-(benzylamino)-4-methylcycloheptane-1-carboxamide (PubChem CID 65084787) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(benzylamino)-4-methylcycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(benzylamino)-4-methylcycloheptane-1-carboxamide
PubChem CID65084787
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(benzylamino)-4-methylcycloheptane-1-carboxamide
SMILESCC1CCCC(NCc2ccccc2)(C(N)=O)CC1
InChIInChI=1S/C16H24N2O/c1-13-6-5-10-16(11-9-13,15(17)19)18-12-14-7-3-2-4-8-14/h2-4,7-8,13,18H,5-6,9-12H2,1H3,(H2,17,19)
InChIKeyYLRRBOLNOJSLSL-UHFFFAOYSA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(benzylamino)-4-propylcycloheptane-1-carboxamide
CID 65088717
4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide
CID 65085259
4-(benzylamino)-1-methylazepane-4-carboxamide
CID 65075475
1-(benzylamino)-2-methylcyclopentane-1-carboxamide
CID 65045227
[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
4-(benzylamino)-1-propan-2-ylazepane-4-carboxamide
CID 65075738
1-anilino-4-methylcyclohexane-1-carboxamide
CID 54889334
4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891183
2-[1-(benzylamino)-4-methylcyclohexyl]acetic acid
CID 83693626
1-(benzylamino)cycloheptane-1-carboxylic acid
CID 60991600
4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide
CID 113225254
1-(benzylamino)-2-methylcyclopentane-1-carboxylic acid
CID 65045391

Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)-4-methylcycloheptane-1-carboxamide?
The IUPAC name of 1-(benzylamino)-4-methylcycloheptane-1-carboxamide (CID 65084787) is 1-(benzylamino)-4-methylcycloheptane-1-carboxamide.
What is the SMILES notation for 1-(benzylamino)-4-methylcycloheptane-1-carboxamide?
The canonical SMILES for 1-(benzylamino)-4-methylcycloheptane-1-carboxamide is CC1CCCC(NCc2ccccc2)(C(N)=O)CC1.
What is the InChIKey of 1-(benzylamino)-4-methylcycloheptane-1-carboxamide?
The InChIKey is YLRRBOLNOJSLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-6-5-10-16(11-9-13,15(17)19)18-12-14-7-3-2-4-8-14/h2-4,7-8,13,18H,5-6,9-12H2,1H3,(H2,17,19).
What are the key properties of 1-(benzylamino)-4-methylcycloheptane-1-carboxamide?
1-(benzylamino)-4-methylcycloheptane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)-4-methylcycloheptane-1-carboxamide is sourced from PubChem (CID 65084787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).