2-cycloheptyl-1-(3-propylphenyl)ethanamine

C18H29N — CID 105050523

IUPAC2-cycloheptyl-1-(3-propylphenyl)ethanamine
SMILESCCCc1cccc(C(N)CC2CCCCCC2)c1
InChIInChI=1S/C18H29N/c1-2-8-15-11-7-12-17(13-15)18(19)14-16-9-5-3-4-6-10-16/h7,11-13,16,18H,2-6,8-10,14,19H2,1H3
InChIKeyIZTXRCAXAIJNPE-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.00
Rot. Bonds5

About 2-cycloheptyl-1-(3-propylphenyl)ethanamine

2-cycloheptyl-1-(3-propylphenyl)ethanamine (PubChem CID 105050523) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-cycloheptyl-1-(3-propylphenyl)ethanamine.

Molecular Properties

Compound Name2-cycloheptyl-1-(3-propylphenyl)ethanamine
PubChem CID105050523
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2-cycloheptyl-1-(3-propylphenyl)ethanamine
SMILESCCCc1cccc(C(N)CC2CCCCCC2)c1
InChIInChI=1S/C18H29N/c1-2-8-15-11-7-12-17(13-15)18(19)14-16-9-5-3-4-6-10-16/h7,11-13,16,18H,2-6,8-10,14,19H2,1H3
InChIKeyIZTXRCAXAIJNPE-UHFFFAOYSA-N
XLogP5.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[cyclopentyl-(3-propylphenyl)methyl]hydrazine
CID 105204459
2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine
CID 105022380
1-(3-propylphenyl)ethanamine
CID 116543909
2-cycloheptyl-1-phenylethanamine
CID 21261900
N-[cyclooctyl-(3-propylphenyl)methyl]ethanamine
CID 116544896
N-[cycloheptyl-(3-propylphenyl)methyl]ethanamine
CID 116544538
[3-(1-amino-2-cyclopropylethyl)phenyl]methanol
CID 55297629
2-cyclohexyl-1-(3,4-diethylphenyl)ethanamine
CID 115482007
2-cyclopentyl-1-(3-methylsulfonylphenyl)ethanamine
CID 115847281
(3-propylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105188014
(2,2-dimethylcyclohexyl)-(3-propylphenyl)methanamine
CID 107191314
3-(1-amino-2-cyclopropylethyl)benzenethiol
CID 55297793

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-(3-propylphenyl)ethanamine?
The IUPAC name of 2-cycloheptyl-1-(3-propylphenyl)ethanamine (CID 105050523) is 2-cycloheptyl-1-(3-propylphenyl)ethanamine.
What is the SMILES notation for 2-cycloheptyl-1-(3-propylphenyl)ethanamine?
The canonical SMILES for 2-cycloheptyl-1-(3-propylphenyl)ethanamine is CCCc1cccc(C(N)CC2CCCCCC2)c1.
What is the InChIKey of 2-cycloheptyl-1-(3-propylphenyl)ethanamine?
The InChIKey is IZTXRCAXAIJNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-2-8-15-11-7-12-17(13-15)18(19)14-16-9-5-3-4-6-10-16/h7,11-13,16,18H,2-6,8-10,14,19H2,1H3.
What are the key properties of 2-cycloheptyl-1-(3-propylphenyl)ethanamine?
2-cycloheptyl-1-(3-propylphenyl)ethanamine has a molecular weight of 259.44 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-(3-propylphenyl)ethanamine is sourced from PubChem (CID 105050523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).