N-(4-phenylbutan-2-yl)octan-2-amine

C18H31N — CID 43130021

IUPACN-(4-phenylbutan-2-yl)octan-2-amine
SMILESCCCCCCC(C)NC(C)CCc1ccccc1
InChIInChI=1S/C18H31N/c1-4-5-6-8-11-16(2)19-17(3)14-15-18-12-9-7-10-13-18/h7,9-10,12-13,16-17,19H,4-6,8,11,14-15H2,1-3H3
InChIKeyMRMBUEUMQQCKGV-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.96
Rot. Bonds10

About N-(4-phenylbutan-2-yl)octan-2-amine

N-(4-phenylbutan-2-yl)octan-2-amine (PubChem CID 43130021) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)octan-2-amine.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)octan-2-amine
PubChem CID43130021
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-(4-phenylbutan-2-yl)octan-2-amine
SMILESCCCCCCC(C)NC(C)CCc1ccccc1
InChIInChI=1S/C18H31N/c1-4-5-6-8-11-16(2)19-17(3)14-15-18-12-9-7-10-13-18/h7,9-10,12-13,16-17,19H,4-6,8,11,14-15H2,1-3H3
InChIKeyMRMBUEUMQQCKGV-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-phenylpropan-2-yl)hexan-2-amine
CID 63012254
N-tetradecan-2-yltetradecan-2-amine
CID 20841578
N-[(2S)-4-phenylbutan-2-yl]decanamide
CID 98131356
N-benzylnonadecan-2-amine;hydrochloride
CID 173191574
(2R)-N-benzylheptan-2-amine
CID 14923313
3-ethylundecylbenzene
CID 101046196
N-(1-phenylpentyl)octan-2-amine
CID 43791089
1-octan-2-yl-2-(2-phenylethyl)guanidine
CID 10870662
N-(4-methylsulfanylbutan-2-yl)-4-phenylbutan-2-amine
CID 115639050
N-(4-phenylbutan-2-yl)pent-4-yn-2-amine
CID 115664215
(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine
CID 12814796
octaoctacontylbenzene
CID 165359374

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)octan-2-amine?
The IUPAC name of N-(4-phenylbutan-2-yl)octan-2-amine (CID 43130021) is N-(4-phenylbutan-2-yl)octan-2-amine.
What is the SMILES notation for N-(4-phenylbutan-2-yl)octan-2-amine?
The canonical SMILES for N-(4-phenylbutan-2-yl)octan-2-amine is CCCCCCC(C)NC(C)CCc1ccccc1.
What is the InChIKey of N-(4-phenylbutan-2-yl)octan-2-amine?
The InChIKey is MRMBUEUMQQCKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-4-5-6-8-11-16(2)19-17(3)14-15-18-12-9-7-10-13-18/h7,9-10,12-13,16-17,19H,4-6,8,11,14-15H2,1-3H3.
What are the key properties of N-(4-phenylbutan-2-yl)octan-2-amine?
N-(4-phenylbutan-2-yl)octan-2-amine has a molecular weight of 261.45 g/mol, XLogP of 4.96, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)octan-2-amine is sourced from PubChem (CID 43130021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).