N,5,5-trimethyl-1-phenylhexan-3-amine

C15H25N — CID 63889810

IUPACN,5,5-trimethyl-1-phenylhexan-3-amine
SMILESCNC(CCc1ccccc1)CC(C)(C)C
InChIInChI=1S/C15H25N/c1-15(2,3)12-14(16-4)11-10-13-8-6-5-7-9-13/h5-9,14,16H,10-12H2,1-4H3
InChIKeyBDUBOXSTMYOTOD-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.64
Rot. Bonds5

About N,5,5-trimethyl-1-phenylhexan-3-amine

N,5,5-trimethyl-1-phenylhexan-3-amine (PubChem CID 63889810) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N,5,5-trimethyl-1-phenylhexan-3-amine.

Molecular Properties

Compound NameN,5,5-trimethyl-1-phenylhexan-3-amine
PubChem CID63889810
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN,5,5-trimethyl-1-phenylhexan-3-amine
SMILESCNC(CCc1ccccc1)CC(C)(C)C
InChIInChI=1S/C15H25N/c1-15(2,3)12-14(16-4)11-10-13-8-6-5-7-9-13/h5-9,14,16H,10-12H2,1-4H3
InChIKeyBDUBOXSTMYOTOD-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
CID 59877545
CID 59877545
N-methyl-1,4-diphenylbutan-2-amine
CID 57128066
4-(methylamino)-6-phenylhexan-2-one
CID 10420495
N-[(2S)-2-(methylamino)-4-phenylbutyl]formamide
CID 145164084
6-methoxy-N-methyl-1-phenylhexan-3-amine
CID 62602732
N-methyl-1-phenoxy-5-phenylpentan-3-amine
CID 60798158
6-methoxy-N-methyl-1-phenylheptan-3-amine
CID 105094085
N,4,4-trimethyl-1-(2-methylphenyl)pentan-2-amine
CID 61065068
1-(2-tert-butylphenyl)-N-methyl-3-phenylpropan-1-amine
CID 115794483
(1R)-1-(methylamino)-3-phenylpropan-1-ol
CID 67675162
N-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine
CID 61078547

Frequently Asked Questions

What is the IUPAC name of N,5,5-trimethyl-1-phenylhexan-3-amine?
The IUPAC name of N,5,5-trimethyl-1-phenylhexan-3-amine (CID 63889810) is N,5,5-trimethyl-1-phenylhexan-3-amine.
What is the SMILES notation for N,5,5-trimethyl-1-phenylhexan-3-amine?
The canonical SMILES for N,5,5-trimethyl-1-phenylhexan-3-amine is CNC(CCc1ccccc1)CC(C)(C)C.
What is the InChIKey of N,5,5-trimethyl-1-phenylhexan-3-amine?
The InChIKey is BDUBOXSTMYOTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-15(2,3)12-14(16-4)11-10-13-8-6-5-7-9-13/h5-9,14,16H,10-12H2,1-4H3.
What are the key properties of N,5,5-trimethyl-1-phenylhexan-3-amine?
N,5,5-trimethyl-1-phenylhexan-3-amine has a molecular weight of 219.37 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,5-trimethyl-1-phenylhexan-3-amine is sourced from PubChem (CID 63889810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).