2,4,4-trimethyl-N-(1-phenylhexyl)pentan-2-amine

C20H35N — CID 63445443

IUPAC2,4,4-trimethyl-N-(1-phenylhexyl)pentan-2-amine
SMILESCCCCCC(NC(C)(C)CC(C)(C)C)c1ccccc1
InChIInChI=1S/C20H35N/c1-7-8-10-15-18(17-13-11-9-12-14-17)21-20(5,6)16-19(2,3)4/h9,11-14,18,21H,7-8,10,15-16H2,1-6H3
InChIKeyBSZSDFLKFOUEAA-UHFFFAOYSA-N
MW289.51 g/mol
LogP6.11
Rot. Bonds8

About 2,4,4-trimethyl-N-(1-phenylhexyl)pentan-2-amine

2,4,4-trimethyl-N-(1-phenylhexyl)pentan-2-amine (PubChem CID 63445443) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-(1-phenylhexyl)pentan-2-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(1-phenylhexyl)pentan-2-amine
PubChem CID63445443
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name2,4,4-trimethyl-N-(1-phenylhexyl)pentan-2-amine
SMILESCCCCCC(NC(C)(C)CC(C)(C)C)c1ccccc1
InChIInChI=1S/C20H35N/c1-7-8-10-15-18(17-13-11-9-12-14-17)21-20(5,6)16-19(2,3)4/h9,11-14,18,21H,7-8,10,15-16H2,1-6H3
InChIKeyBSZSDFLKFOUEAA-UHFFFAOYSA-N
XLogP6.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 56.11
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-(2,2-dimethylpropyl)-1-phenylhexan-1-amine
CID 63452356
2,4,4-trimethyl-N-(3,3,3-trifluoro-1-phenylpropyl)pentan-2-amine
CID 43788256
N-(2,2-dimethylpropyl)-1-phenylpentan-1-amine
CID 55191412
[(1S)-1-phenyldecyl]hydrazine
CID 124596381
(R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide
CID 135005703
2-methyl-1-N-(1-phenyloctadecyl)propane-1,2-diamine
CID 57297317
N-methoxy-1-phenylhexan-1-amine
CID 82707077
N-pentyl-1-phenyldecan-1-amine
CID 10380274
2-N,2-N,2-trimethyl-1-N-(1-phenylhexyl)propane-1,2-diamine
CID 43767793
1-phenylhexylcarbamic acid
CID 21477897
2-methylsulfanyl-N-(1-phenylhexyl)aniline
CID 43780995
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-(1-phenylhexyl)pentan-2-amine?
The IUPAC name of 2,4,4-trimethyl-N-(1-phenylhexyl)pentan-2-amine (CID 63445443) is 2,4,4-trimethyl-N-(1-phenylhexyl)pentan-2-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-(1-phenylhexyl)pentan-2-amine?
The canonical SMILES for 2,4,4-trimethyl-N-(1-phenylhexyl)pentan-2-amine is CCCCCC(NC(C)(C)CC(C)(C)C)c1ccccc1.
What is the InChIKey of 2,4,4-trimethyl-N-(1-phenylhexyl)pentan-2-amine?
The InChIKey is BSZSDFLKFOUEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-7-8-10-15-18(17-13-11-9-12-14-17)21-20(5,6)16-19(2,3)4/h9,11-14,18,21H,7-8,10,15-16H2,1-6H3.
What are the key properties of 2,4,4-trimethyl-N-(1-phenylhexyl)pentan-2-amine?
2,4,4-trimethyl-N-(1-phenylhexyl)pentan-2-amine has a molecular weight of 289.51 g/mol, XLogP of 6.11, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-(1-phenylhexyl)pentan-2-amine is sourced from PubChem (CID 63445443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).