N-hexyl-4-methyl-4-phenylpentan-2-amine

C18H31N — CID 43769669

IUPACN-hexyl-4-methyl-4-phenylpentan-2-amine
SMILESCCCCCCNC(C)CC(C)(C)c1ccccc1
InChIInChI=1S/C18H31N/c1-5-6-7-11-14-19-16(2)15-18(3,4)17-12-9-8-10-13-17/h8-10,12-13,16,19H,5-7,11,14-15H2,1-4H3
InChIKeyYUSYUJALCNWIOF-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.91
Rot. Bonds9

About N-hexyl-4-methyl-4-phenylpentan-2-amine

N-hexyl-4-methyl-4-phenylpentan-2-amine (PubChem CID 43769669) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-hexyl-4-methyl-4-phenylpentan-2-amine.

Molecular Properties

Compound NameN-hexyl-4-methyl-4-phenylpentan-2-amine
PubChem CID43769669
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-hexyl-4-methyl-4-phenylpentan-2-amine
SMILESCCCCCCNC(C)CC(C)(C)c1ccccc1
InChIInChI=1S/C18H31N/c1-5-6-7-11-14-19-16(2)15-18(3,4)17-12-9-8-10-13-17/h8-10,12-13,16,19H,5-7,11,14-15H2,1-4H3
InChIKeyYUSYUJALCNWIOF-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.91
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-(2-ethylsulfonylethyl)-4-methyl-4-phenylpentan-2-amine
CID 103921230
N',N'-dimethyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine
CID 43754808
N-(1-phenylpropan-2-yl)hexan-1-amine
CID 10998534
N-(2-methyl-2-phenylpropyl)nonan-1-amine
CID 63491686
N-(2-methyl-2-phenylpropyl)hexan-1-amine
CID 63451792
3-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]pentan-3-ol
CID 65105672
N-(2-cyclopentylethyl)-4-methyl-4-phenylpentan-2-amine
CID 63450264
(2R)-N,4-dimethyl-4-phenylpentan-2-amine
CID 42077724
N-but-2-ynyl-4-methyl-4-phenylpentan-2-amine
CID 115906615
2-methyl-1-[(4-methyl-4-phenylpentan-2-yl)amino]butan-2-ol
CID 65107916
N'-cyclopropyl-N'-methyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine
CID 62975730
N-(2-phenylpropan-2-yl)dodecan-1-amine
CID 18319434

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-methyl-4-phenylpentan-2-amine?
The IUPAC name of N-hexyl-4-methyl-4-phenylpentan-2-amine (CID 43769669) is N-hexyl-4-methyl-4-phenylpentan-2-amine.
What is the SMILES notation for N-hexyl-4-methyl-4-phenylpentan-2-amine?
The canonical SMILES for N-hexyl-4-methyl-4-phenylpentan-2-amine is CCCCCCNC(C)CC(C)(C)c1ccccc1.
What is the InChIKey of N-hexyl-4-methyl-4-phenylpentan-2-amine?
The InChIKey is YUSYUJALCNWIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-5-6-7-11-14-19-16(2)15-18(3,4)17-12-9-8-10-13-17/h8-10,12-13,16,19H,5-7,11,14-15H2,1-4H3.
What are the key properties of N-hexyl-4-methyl-4-phenylpentan-2-amine?
N-hexyl-4-methyl-4-phenylpentan-2-amine has a molecular weight of 261.45 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-methyl-4-phenylpentan-2-amine is sourced from PubChem (CID 43769669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).