cyclooctyl-[3-(2-methylpropyl)phenyl]methanamine

C19H31N — CID 116544893

IUPACcyclooctyl-[3-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1cccc(C(N)C2CCCCCCC2)c1
InChIInChI=1S/C19H31N/c1-15(2)13-16-9-8-12-18(14-16)19(20)17-10-6-4-3-5-7-11-17/h8-9,12,14-15,17,19H,3-7,10-11,13,20H2,1-2H3
InChIKeyVCWWBYCFBBYKPP-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.25
Rot. Bonds4

About cyclooctyl-[3-(2-methylpropyl)phenyl]methanamine

cyclooctyl-[3-(2-methylpropyl)phenyl]methanamine (PubChem CID 116544893) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is cyclooctyl-[3-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Namecyclooctyl-[3-(2-methylpropyl)phenyl]methanamine
PubChem CID116544893
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Namecyclooctyl-[3-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1cccc(C(N)C2CCCCCCC2)c1
InChIInChI=1S/C19H31N/c1-15(2)13-16-9-8-12-18(14-16)19(20)17-10-6-4-3-5-7-11-17/h8-9,12,14-15,17,19H,3-7,10-11,13,20H2,1-2H3
InChIKeyVCWWBYCFBBYKPP-UHFFFAOYSA-N
XLogP5.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(2-methylpropyl)phenyl]-(4-propan-2-ylcyclohexyl)methanamine
CID 116544545
(4,4-dimethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544530
[3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanamine
CID 105050818
(S)-cyclohexyl-(3-propan-2-ylphenyl)methanamine
CID 171231604
[3-(2-methylpropyl)phenyl]-(thiolan-2-yl)methanamine
CID 116544898
(R)-cyclopropyl-(3-ethylphenyl)methanamine
CID 55277646
(S)-cyclopropyl-(3-ethylphenyl)methanamine
CID 131196510
3-[amino(cyclohexyl)methyl]phenol
CID 105457850
(R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride
CID 171211996
(S)-(3-bromophenyl)-cyclohexylmethanamine
CID 93312550
(R)-cyclopropyl-[3-(methoxymethyl)phenyl]methanamine
CID 129411474
1-chloro-3-(2-methylpropyl)benzene;propan-2-ylcyclobutane
CID 163536568

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-[3-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of cyclooctyl-[3-(2-methylpropyl)phenyl]methanamine (CID 116544893) is cyclooctyl-[3-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for cyclooctyl-[3-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for cyclooctyl-[3-(2-methylpropyl)phenyl]methanamine is CC(C)Cc1cccc(C(N)C2CCCCCCC2)c1.
What is the InChIKey of cyclooctyl-[3-(2-methylpropyl)phenyl]methanamine?
The InChIKey is VCWWBYCFBBYKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-15(2)13-16-9-8-12-18(14-16)19(20)17-10-6-4-3-5-7-11-17/h8-9,12,14-15,17,19H,3-7,10-11,13,20H2,1-2H3.
What are the key properties of cyclooctyl-[3-(2-methylpropyl)phenyl]methanamine?
cyclooctyl-[3-(2-methylpropyl)phenyl]methanamine has a molecular weight of 273.46 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-[3-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 116544893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).