N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine

C17H29N — CID 63452356

IUPACN-(2,2-dimethylpropyl)-1-phenylhexan-1-amine
SMILESCCCCCC(NCC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H29N/c1-5-6-8-13-16(18-14-17(2,3)4)15-11-9-7-10-12-15/h7,9-12,16,18H,5-6,8,13-14H2,1-4H3
InChIKeyHKKURZWHFZADLE-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.94
Rot. Bonds7

About N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine

N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine (PubChem CID 63452356) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-1-phenylhexan-1-amine
PubChem CID63452356
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-(2,2-dimethylpropyl)-1-phenylhexan-1-amine
SMILESCCCCCC(NCC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H29N/c1-5-6-8-13-16(18-14-17(2,3)4)15-11-9-7-10-12-15/h7,9-12,16,18H,5-6,8,13-14H2,1-4H3
InChIKeyHKKURZWHFZADLE-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.94
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-phenylpentan-1-amine
CID 55191412
2-methyl-1-N-(1-phenyloctadecyl)propane-1,2-diamine
CID 57297317
2-N,2-N,2-trimethyl-1-N-(1-phenylhexyl)propane-1,2-diamine
CID 43767793
3-[(1-phenylhexylamino)methyl]pentan-3-ol
CID 65105714
N,N,2,2-tetramethyl-N'-(1-phenylhexyl)propane-1,3-diamine
CID 43758913
2,2-dimethyl-3-(1-phenylhexylamino)propanamide
CID 103917134
N-pentyl-1-phenyldecan-1-amine
CID 10380274
2,4,4-trimethyl-N-(1-phenylhexyl)pentan-2-amine
CID 63445443
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
4-(1-phenylhexylamino)butan-2-ol
CID 64910713
[(1S)-1-phenyldecyl]hydrazine
CID 124596381
(R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide
CID 135005703

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine (CID 63452356) is N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine is CCCCCC(NCC(C)(C)C)c1ccccc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine?
The InChIKey is HKKURZWHFZADLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-6-8-13-16(18-14-17(2,3)4)15-11-9-7-10-12-15/h7,9-12,16,18H,5-6,8,13-14H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine?
N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine is sourced from PubChem (CID 63452356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).