N-(2-phenylpropyl)nonan-2-amine

C18H31N — CID 43130018

IUPACN-(2-phenylpropyl)nonan-2-amine
SMILESCCCCCCCC(C)NCC(C)c1ccccc1
InChIInChI=1S/C18H31N/c1-4-5-6-7-9-12-17(3)19-15-16(2)18-13-10-8-11-14-18/h8,10-11,13-14,16-17,19H,4-7,9,12,15H2,1-3H3
InChIKeyHBFFAWJQJNIDSI-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.13
Rot. Bonds10

About N-(2-phenylpropyl)nonan-2-amine

N-(2-phenylpropyl)nonan-2-amine (PubChem CID 43130018) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-(2-phenylpropyl)nonan-2-amine.

Molecular Properties

Compound NameN-(2-phenylpropyl)nonan-2-amine
PubChem CID43130018
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-(2-phenylpropyl)nonan-2-amine
SMILESCCCCCCCC(C)NCC(C)c1ccccc1
InChIInChI=1S/C18H31N/c1-4-5-6-7-9-12-17(3)19-15-16(2)18-13-10-8-11-14-18/h8,10-11,13-14,16-17,19H,4-7,9,12,15H2,1-3H3
InChIKeyHBFFAWJQJNIDSI-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.13
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

2-(nonan-2-ylamino)-1-phenylethanol
CID 43499169
N-benzylnonadecan-2-amine;hydrochloride
CID 173191574
(2R)-N-benzylheptan-2-amine
CID 14923313
2-phenyl-N-propan-2-ylundecan-1-amine
CID 65429308
N-(1-phenylpentyl)octan-2-amine
CID 43791089
N-(3-phenylbutyl)hexan-1-amine
CID 63420973
sulfuric acid;tridecan-2-ylbenzene
CID 70428622
N-ethyl-2-methyl-1-phenylundecan-1-amine
CID 104845429
N-(pyridin-2-ylmethyl)octan-2-amine
CID 43085262
2-(octan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63491374
1-phenyldecan-1-amine
CID 43175860
hentriacontan-13-ylbenzene
CID 91306613

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)nonan-2-amine?
The IUPAC name of N-(2-phenylpropyl)nonan-2-amine (CID 43130018) is N-(2-phenylpropyl)nonan-2-amine.
What is the SMILES notation for N-(2-phenylpropyl)nonan-2-amine?
The canonical SMILES for N-(2-phenylpropyl)nonan-2-amine is CCCCCCCC(C)NCC(C)c1ccccc1.
What is the InChIKey of N-(2-phenylpropyl)nonan-2-amine?
The InChIKey is HBFFAWJQJNIDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-4-5-6-7-9-12-17(3)19-15-16(2)18-13-10-8-11-14-18/h8,10-11,13-14,16-17,19H,4-7,9,12,15H2,1-3H3.
What are the key properties of N-(2-phenylpropyl)nonan-2-amine?
N-(2-phenylpropyl)nonan-2-amine has a molecular weight of 261.45 g/mol, XLogP of 5.13, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)nonan-2-amine is sourced from PubChem (CID 43130018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).