N-[cycloheptyl-(3-propylphenyl)methyl]ethanamine

C19H31N — CID 116544538

IUPACN-[cycloheptyl-(3-propylphenyl)methyl]ethanamine
SMILESCCCc1cccc(C(NCC)C2CCCCCC2)c1
InChIInChI=1S/C19H31N/c1-3-10-16-11-9-14-18(15-16)19(20-4-2)17-12-7-5-6-8-13-17/h9,11,14-15,17,19-20H,3-8,10,12-13H2,1-2H3
InChIKeyVFCHQZUHPWZLFI-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.26
Rot. Bonds6

About N-[cycloheptyl-(3-propylphenyl)methyl]ethanamine

N-[cycloheptyl-(3-propylphenyl)methyl]ethanamine (PubChem CID 116544538) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[cycloheptyl-(3-propylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cycloheptyl-(3-propylphenyl)methyl]ethanamine
PubChem CID116544538
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[cycloheptyl-(3-propylphenyl)methyl]ethanamine
SMILESCCCc1cccc(C(NCC)C2CCCCCC2)c1
InChIInChI=1S/C19H31N/c1-3-10-16-11-9-14-18(15-16)19(20-4-2)17-12-7-5-6-8-13-17/h9,11,14-15,17,19-20H,3-8,10,12-13H2,1-2H3
InChIKeyVFCHQZUHPWZLFI-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclooctyl-(3-propylphenyl)methyl]ethanamine
CID 116544896
[cyclopentyl-(3-propylphenyl)methyl]hydrazine
CID 105204459
N-[(3-methylcyclopentyl)-(3-propylphenyl)methyl]ethanamine
CID 116544556
N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine
CID 65399254
N-[cycloheptyl-(3-iodophenyl)methyl]ethanamine
CID 105027846
N-[cyclopentyl-(3-methylphenyl)methyl]ethanamine
CID 60818890
N-[(3-methylcyclohexyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116544174
N-[cyclopentyl-(3-methoxyphenyl)methyl]ethanamine
CID 60797775
N-[cycloheptyl(naphthalen-2-yl)methyl]ethanamine
CID 65399024
N-[3-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methyl]propan-1-amine
CID 105050218
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine
CID 63507724

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl-(3-propylphenyl)methyl]ethanamine?
The IUPAC name of N-[cycloheptyl-(3-propylphenyl)methyl]ethanamine (CID 116544538) is N-[cycloheptyl-(3-propylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[cycloheptyl-(3-propylphenyl)methyl]ethanamine?
The canonical SMILES for N-[cycloheptyl-(3-propylphenyl)methyl]ethanamine is CCCc1cccc(C(NCC)C2CCCCCC2)c1.
What is the InChIKey of N-[cycloheptyl-(3-propylphenyl)methyl]ethanamine?
The InChIKey is VFCHQZUHPWZLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-3-10-16-11-9-14-18(15-16)19(20-4-2)17-12-7-5-6-8-13-17/h9,11,14-15,17,19-20H,3-8,10,12-13H2,1-2H3.
What are the key properties of N-[cycloheptyl-(3-propylphenyl)methyl]ethanamine?
N-[cycloheptyl-(3-propylphenyl)methyl]ethanamine has a molecular weight of 273.46 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl-(3-propylphenyl)methyl]ethanamine is sourced from PubChem (CID 116544538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).