N-(2-methyl-2-phenylpropyl)hexan-1-amine

C16H27N — CID 63451792

IUPACN-(2-methyl-2-phenylpropyl)hexan-1-amine
SMILESCCCCCCNCC(C)(C)c1ccccc1
InChIInChI=1S/C16H27N/c1-4-5-6-10-13-17-14-16(2,3)15-11-8-7-9-12-15/h7-9,11-12,17H,4-6,10,13-14H2,1-3H3
InChIKeyHEBWGOFRUXQSFJ-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.13
Rot. Bonds8

About N-(2-methyl-2-phenylpropyl)hexan-1-amine

N-(2-methyl-2-phenylpropyl)hexan-1-amine (PubChem CID 63451792) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-(2-methyl-2-phenylpropyl)hexan-1-amine.

Molecular Properties

Compound NameN-(2-methyl-2-phenylpropyl)hexan-1-amine
PubChem CID63451792
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-(2-methyl-2-phenylpropyl)hexan-1-amine
SMILESCCCCCCNCC(C)(C)c1ccccc1
InChIInChI=1S/C16H27N/c1-4-5-6-10-13-17-14-16(2,3)15-11-8-7-9-12-15/h7-9,11-12,17H,4-6,10,13-14H2,1-3H3
InChIKeyHEBWGOFRUXQSFJ-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.13
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

N-(2-methyl-2-phenylpropyl)nonan-1-amine
CID 63491686
N-(3,3,3-triphenylpropyl)hexan-1-amine
CID 69396005
3-[(2-methyl-2-phenylpropyl)amino]propane-1-thiol
CID 115225308
N-(3-ethylsulfanylpropyl)-2-methyl-2-phenylpropan-1-amine
CID 113373332
2-[(2-methyl-2-phenylpropyl)amino]ethanethiol
CID 115224453
N-(2-phenylpropan-2-yl)dodecan-1-amine
CID 18319434
N',N'-diethyl-N-(2-methyl-2-phenylpropyl)ethane-1,2-diamine
CID 54886399
N-hexyl-4-methyl-4-phenylpentan-2-amine
CID 43769669
N-(1,1-diphenylethyl)pentan-1-amine
CID 67665508
tert-butylbenzene;hexane
CID 175254424
N-octyl-N'-phenylethane-1,2-diamine
CID 115568749
N-pentylpentan-1-amine;styrene
CID 69462371

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-phenylpropyl)hexan-1-amine?
The IUPAC name of N-(2-methyl-2-phenylpropyl)hexan-1-amine (CID 63451792) is N-(2-methyl-2-phenylpropyl)hexan-1-amine.
What is the SMILES notation for N-(2-methyl-2-phenylpropyl)hexan-1-amine?
The canonical SMILES for N-(2-methyl-2-phenylpropyl)hexan-1-amine is CCCCCCNCC(C)(C)c1ccccc1.
What is the InChIKey of N-(2-methyl-2-phenylpropyl)hexan-1-amine?
The InChIKey is HEBWGOFRUXQSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-4-5-6-10-13-17-14-16(2,3)15-11-8-7-9-12-15/h7-9,11-12,17H,4-6,10,13-14H2,1-3H3.
What are the key properties of N-(2-methyl-2-phenylpropyl)hexan-1-amine?
N-(2-methyl-2-phenylpropyl)hexan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-phenylpropyl)hexan-1-amine is sourced from PubChem (CID 63451792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).