N,2-diethyl-2-[(4-propan-2-ylphenyl)methyl]hexan-1-amine

C20H35N — CID 63509469

IUPACN,2-diethyl-2-[(4-propan-2-ylphenyl)methyl]hexan-1-amine
SMILESCCCCC(CC)(CNCC)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C20H35N/c1-6-9-14-20(7-2,16-21-8-3)15-18-10-12-19(13-11-18)17(4)5/h10-13,17,21H,6-9,14-16H2,1-5H3
InChIKeyZDOTWOKXIUTFQY-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.55
Rot. Bonds10

About N,2-diethyl-2-[(4-propan-2-ylphenyl)methyl]hexan-1-amine

N,2-diethyl-2-[(4-propan-2-ylphenyl)methyl]hexan-1-amine (PubChem CID 63509469) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N,2-diethyl-2-[(4-propan-2-ylphenyl)methyl]hexan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-2-[(4-propan-2-ylphenyl)methyl]hexan-1-amine
PubChem CID63509469
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN,2-diethyl-2-[(4-propan-2-ylphenyl)methyl]hexan-1-amine
SMILESCCCCC(CC)(CNCC)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C20H35N/c1-6-9-14-20(7-2,16-21-8-3)15-18-10-12-19(13-11-18)17(4)5/h10-13,17,21H,6-9,14-16H2,1-5H3
InChIKeyZDOTWOKXIUTFQY-UHFFFAOYSA-N
XLogP5.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-diethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine
CID 55195481
N-ethyl-2-methyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 63509011
2-[(5-chlorothiophen-2-yl)methyl]-N,2-diethylhexan-1-amine
CID 63508597
2-[(2-chloro-5-fluorophenyl)methyl]-N,2-diethylhexan-1-amine
CID 102619893
2-ethyl-N-(2-methoxyethyl)-2-[(4-methylphenyl)methyl]hexan-1-amine
CID 63508272
N-ethyl-2-(4-propan-2-ylphenyl)-2-propylpentan-1-amine
CID 63511266
N,2-diethyl-2-[(5-fluoro-2-methylphenyl)methyl]hexan-1-amine
CID 105374931
2-(aminomethyl)-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol
CID 106508285
2-methyl-1-(4-propan-2-ylphenyl)heptan-2-ol
CID 80557871
N,2-dimethyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 63509418
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
2-[(2-bromo-5-methoxyphenyl)methyl]-N,2-diethylhexan-1-amine
CID 65327025

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-2-[(4-propan-2-ylphenyl)methyl]hexan-1-amine?
The IUPAC name of N,2-diethyl-2-[(4-propan-2-ylphenyl)methyl]hexan-1-amine (CID 63509469) is N,2-diethyl-2-[(4-propan-2-ylphenyl)methyl]hexan-1-amine.
What is the SMILES notation for N,2-diethyl-2-[(4-propan-2-ylphenyl)methyl]hexan-1-amine?
The canonical SMILES for N,2-diethyl-2-[(4-propan-2-ylphenyl)methyl]hexan-1-amine is CCCCC(CC)(CNCC)Cc1ccc(C(C)C)cc1.
What is the InChIKey of N,2-diethyl-2-[(4-propan-2-ylphenyl)methyl]hexan-1-amine?
The InChIKey is ZDOTWOKXIUTFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-6-9-14-20(7-2,16-21-8-3)15-18-10-12-19(13-11-18)17(4)5/h10-13,17,21H,6-9,14-16H2,1-5H3.
What are the key properties of N,2-diethyl-2-[(4-propan-2-ylphenyl)methyl]hexan-1-amine?
N,2-diethyl-2-[(4-propan-2-ylphenyl)methyl]hexan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.55, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-2-[(4-propan-2-ylphenyl)methyl]hexan-1-amine is sourced from PubChem (CID 63509469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).