N-ethyl-N-(2-phenylpropan-2-yl)tetradecan-1-amine

C25H45N — CID 160845745

IUPACN-ethyl-N-(2-phenylpropan-2-yl)tetradecan-1-amine
SMILESCCCCCCCCCCCCCCN(CC)C(C)(C)c1ccccc1
InChIInChI=1S/C25H45N/c1-5-7-8-9-10-11-12-13-14-15-16-20-23-26(6-2)25(3,4)24-21-18-17-19-22-24/h17-19,21-22H,5-16,20,23H2,1-4H3
InChIKeySIPSJCBTBFQILD-UHFFFAOYSA-N
MW359.64 g/mol
LogP7.94
Rot. Bonds16

About N-ethyl-N-(2-phenylpropan-2-yl)tetradecan-1-amine

N-ethyl-N-(2-phenylpropan-2-yl)tetradecan-1-amine (PubChem CID 160845745) has the molecular formula C25H45N and a molecular weight of 359.64 g/mol. Its IUPAC name is N-ethyl-N-(2-phenylpropan-2-yl)tetradecan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-phenylpropan-2-yl)tetradecan-1-amine
PubChem CID160845745
Molecular FormulaC25H45N
Molecular Weight359.64 g/mol
Exact Mass359.36
IUPAC NameN-ethyl-N-(2-phenylpropan-2-yl)tetradecan-1-amine
SMILESCCCCCCCCCCCCCCN(CC)C(C)(C)c1ccccc1
InChIInChI=1S/C25H45N/c1-5-7-8-9-10-11-12-13-14-15-16-20-23-26(6-2)25(3,4)24-21-18-17-19-22-24/h17-19,21-22H,5-16,20,23H2,1-4H3
InChIKeySIPSJCBTBFQILD-UHFFFAOYSA-N
XLogP7.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.64
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-(2-phenylpropan-2-yl)-N-tetradecylhexadecan-2-amine
CID 159816423
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N-ethyl-N-(4-methylheptan-4-yl)decan-1-amine
CID 154429867
[[carboxy(tetratriacontyl)amino]-diphenylmethyl]-tetratriacontylcarbamic acid
CID 87081562
[(hexyldisulfanyl)-diphenylmethyl]benzene
CID 56622231
15-phenylnonacosan-15-ylbenzene
CID 141310981
N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615
2-phenyldecan-2-amine
CID 63408050
N,N-bis(diphenylphosphanyl)hexan-1-amine
CID 88592099
2-methyl-2-phenyloctanenitrile
CID 161194132

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-phenylpropan-2-yl)tetradecan-1-amine?
The IUPAC name of N-ethyl-N-(2-phenylpropan-2-yl)tetradecan-1-amine (CID 160845745) is N-ethyl-N-(2-phenylpropan-2-yl)tetradecan-1-amine.
What is the SMILES notation for N-ethyl-N-(2-phenylpropan-2-yl)tetradecan-1-amine?
The canonical SMILES for N-ethyl-N-(2-phenylpropan-2-yl)tetradecan-1-amine is CCCCCCCCCCCCCCN(CC)C(C)(C)c1ccccc1.
What is the InChIKey of N-ethyl-N-(2-phenylpropan-2-yl)tetradecan-1-amine?
The InChIKey is SIPSJCBTBFQILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45N/c1-5-7-8-9-10-11-12-13-14-15-16-20-23-26(6-2)25(3,4)24-21-18-17-19-22-24/h17-19,21-22H,5-16,20,23H2,1-4H3.
What are the key properties of N-ethyl-N-(2-phenylpropan-2-yl)tetradecan-1-amine?
N-ethyl-N-(2-phenylpropan-2-yl)tetradecan-1-amine has a molecular weight of 359.64 g/mol, XLogP of 7.94, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-phenylpropan-2-yl)tetradecan-1-amine is sourced from PubChem (CID 160845745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).