N,2,5,5,6-pentamethyl-4-phenylheptan-2-amine

C18H31N — CID 163630687

IUPACN,2,5,5,6-pentamethyl-4-phenylheptan-2-amine
SMILESCNC(C)(C)CC(c1ccccc1)C(C)(C)C(C)C
InChIInChI=1S/C18H31N/c1-14(2)18(5,6)16(13-17(3,4)19-7)15-11-9-8-10-12-15/h8-12,14,16,19H,13H2,1-7H3
InChIKeyHVUMKNSKJOYTDB-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.84
Rot. Bonds6

About N,2,5,5,6-pentamethyl-4-phenylheptan-2-amine

N,2,5,5,6-pentamethyl-4-phenylheptan-2-amine (PubChem CID 163630687) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N,2,5,5,6-pentamethyl-4-phenylheptan-2-amine.

Molecular Properties

Compound NameN,2,5,5,6-pentamethyl-4-phenylheptan-2-amine
PubChem CID163630687
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN,2,5,5,6-pentamethyl-4-phenylheptan-2-amine
SMILESCNC(C)(C)CC(c1ccccc1)C(C)(C)C(C)C
InChIInChI=1S/C18H31N/c1-14(2)18(5,6)16(13-17(3,4)19-7)15-11-9-8-10-12-15/h8-12,14,16,19H,13H2,1-7H3
InChIKeyHVUMKNSKJOYTDB-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N,2,5,5,6-pentamethyl-4-phenylheptan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,5,5,6,7,7-heptamethyloctan-4-ylbenzene
CID 90806094
2,2,5,5-tetramethylhexan-3-ylbenzene
CID 546256
2,2,5-trimethylhexan-3-ylbenzene
CID 18669937
N,2-dimethyl-4-(4-methylphenyl)pentan-2-amine
CID 164863400
2-methyl-2-(1-phenylethylamino)propan-1-ol
CID 60720568
N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
CID 62613768
(4S)-2-methyl-4-phenylpentan-2-ol
CID 129361688
1-(2,3-dimethylbutan-2-yloxy)ethylbenzene
CID 154695390
4-hydroxy-N,4-dimethyl-3-phenylpentanamide
CID 85222036
(3R)-4-hydroxy-N,4-dimethyl-3-phenylpentanamide
CID 10656608
2-N,2-N,2-trimethyl-4-N-phenylpentane-2,4-diamine
CID 13185865
N-ethyl-2,2-dimethyl-3-phenylbutan-1-amine
CID 59419630

Frequently Asked Questions

What is the IUPAC name of N,2,5,5,6-pentamethyl-4-phenylheptan-2-amine?
The IUPAC name of N,2,5,5,6-pentamethyl-4-phenylheptan-2-amine (CID 163630687) is N,2,5,5,6-pentamethyl-4-phenylheptan-2-amine.
What is the SMILES notation for N,2,5,5,6-pentamethyl-4-phenylheptan-2-amine?
The canonical SMILES for N,2,5,5,6-pentamethyl-4-phenylheptan-2-amine is CNC(C)(C)CC(c1ccccc1)C(C)(C)C(C)C.
What is the InChIKey of N,2,5,5,6-pentamethyl-4-phenylheptan-2-amine?
The InChIKey is HVUMKNSKJOYTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-14(2)18(5,6)16(13-17(3,4)19-7)15-11-9-8-10-12-15/h8-12,14,16,19H,13H2,1-7H3.
What are the key properties of N,2,5,5,6-pentamethyl-4-phenylheptan-2-amine?
N,2,5,5,6-pentamethyl-4-phenylheptan-2-amine has a molecular weight of 261.45 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5,5,6-pentamethyl-4-phenylheptan-2-amine is sourced from PubChem (CID 163630687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).