octan-2-amine;phenylmethanamine

C15H28N2 — CID 67561022

IUPACoctan-2-amine;phenylmethanamine
SMILESCCCCCCC(C)N.NCc1ccccc1
InChIInChI=1S/C8H19N.C7H9N/c1-3-4-5-6-7-8(2)9;8-6-7-4-2-1-3-5-7/h8H,3-7,9H2,1-2H3;1-5H,6,8H2
InChIKeyTYNLZOYMPBBJEN-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.45
Rot. Bonds6

About octan-2-amine;phenylmethanamine

octan-2-amine;phenylmethanamine (PubChem CID 67561022) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is octan-2-amine;phenylmethanamine.

Molecular Properties

Compound Nameoctan-2-amine;phenylmethanamine
PubChem CID67561022
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Nameoctan-2-amine;phenylmethanamine
SMILESCCCCCCC(C)N.NCc1ccccc1
InChIInChI=1S/C8H19N.C7H9N/c1-3-4-5-6-7-8(2)9;8-6-7-4-2-1-3-5-7/h8H,3-7,9H2,1-2H3;1-5H,6,8H2
InChIKeyTYNLZOYMPBBJEN-UHFFFAOYSA-N
XLogP3.45
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-tetradecan-2-amine
CID 25021238
(2S)-tridecan-2-amine
CID 24884182
(2S)-nonadecan-2-amine
CID 94864909
butane;1-chlorohexadecane;phenylmethanamine
CID 70547274
phenylmethanamine;trioctylphosphane
CID 174278232
tetradecan-2-amine;hydrobromide
CID 175070931
dodecan-2-amine;hydrochloride
CID 86195878
dodecan-1-amine;dodecan-2-amine
CID 88815564
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
nonadecane-2,14-diamine
CID 89095951
(4-dodecan-6-ylphenyl)methanamine
CID 130348260
hydrogen peroxide;2-methyldodecylbenzene
CID 159185106

Frequently Asked Questions

What is the IUPAC name of octan-2-amine;phenylmethanamine?
The IUPAC name of octan-2-amine;phenylmethanamine (CID 67561022) is octan-2-amine;phenylmethanamine.
What is the SMILES notation for octan-2-amine;phenylmethanamine?
The canonical SMILES for octan-2-amine;phenylmethanamine is CCCCCCC(C)N.NCc1ccccc1.
What is the InChIKey of octan-2-amine;phenylmethanamine?
The InChIKey is TYNLZOYMPBBJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C7H9N/c1-3-4-5-6-7-8(2)9;8-6-7-4-2-1-3-5-7/h8H,3-7,9H2,1-2H3;1-5H,6,8H2.
What are the key properties of octan-2-amine;phenylmethanamine?
octan-2-amine;phenylmethanamine has a molecular weight of 236.40 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octan-2-amine;phenylmethanamine is sourced from PubChem (CID 67561022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).