N,3,3-trimethyl-5-[4-(2-methylpropyl)phenyl]pentan-1-amine

C18H31N — CID 65304916

IUPACN,3,3-trimethyl-5-[4-(2-methylpropyl)phenyl]pentan-1-amine
SMILESCNCCC(C)(C)CCc1ccc(CC(C)C)cc1
InChIInChI=1S/C18H31N/c1-15(2)14-17-8-6-16(7-9-17)10-11-18(3,4)12-13-19-5/h6-9,15,19H,10-14H2,1-5H3
InChIKeyVTVQPBZNWUMIFG-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.45
Rot. Bonds8

About N,3,3-trimethyl-5-[4-(2-methylpropyl)phenyl]pentan-1-amine

N,3,3-trimethyl-5-[4-(2-methylpropyl)phenyl]pentan-1-amine (PubChem CID 65304916) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N,3,3-trimethyl-5-[4-(2-methylpropyl)phenyl]pentan-1-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-5-[4-(2-methylpropyl)phenyl]pentan-1-amine
PubChem CID65304916
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN,3,3-trimethyl-5-[4-(2-methylpropyl)phenyl]pentan-1-amine
SMILESCNCCC(C)(C)CCc1ccc(CC(C)C)cc1
InChIInChI=1S/C18H31N/c1-15(2)14-17-8-6-16(7-9-17)10-11-18(3,4)12-13-19-5/h6-9,15,19H,10-14H2,1-5H3
InChIKeyVTVQPBZNWUMIFG-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-5-[4-(2-methylpropyl)phenyl]pentanoic acid
CID 63535833
5-(4-cyclohexylphenyl)-N,3,3-trimethylpentan-1-amine
CID 65303999
5-(3,4-diethylphenyl)-N,3,3-trimethylpentan-1-amine
CID 115483394
3,3-dimethyl-5-(4-methylphenyl)-N-propan-2-ylpentan-1-amine
CID 65304944
5-(2,3-dihydro-1H-inden-5-yl)-N,3,3-trimethylpentan-1-amine
CID 65303621
5-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine
CID 65305104
2,2-dimethyl-3-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-1-ol
CID 115135445
N-[3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine
CID 65304298
N-methyl-2-[4-(2-methylpropyl)phenyl]propan-2-amine
CID 82283210
N'-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 59849275
[2-[4-(2-methylpropyl)phenyl]ethylamino]methanethiol
CID 115228211
N-tert-butyl-5-(4-chlorophenyl)-3,3-dimethylpentan-1-amine
CID 65304678

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-5-[4-(2-methylpropyl)phenyl]pentan-1-amine?
The IUPAC name of N,3,3-trimethyl-5-[4-(2-methylpropyl)phenyl]pentan-1-amine (CID 65304916) is N,3,3-trimethyl-5-[4-(2-methylpropyl)phenyl]pentan-1-amine.
What is the SMILES notation for N,3,3-trimethyl-5-[4-(2-methylpropyl)phenyl]pentan-1-amine?
The canonical SMILES for N,3,3-trimethyl-5-[4-(2-methylpropyl)phenyl]pentan-1-amine is CNCCC(C)(C)CCc1ccc(CC(C)C)cc1.
What is the InChIKey of N,3,3-trimethyl-5-[4-(2-methylpropyl)phenyl]pentan-1-amine?
The InChIKey is VTVQPBZNWUMIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-15(2)14-17-8-6-16(7-9-17)10-11-18(3,4)12-13-19-5/h6-9,15,19H,10-14H2,1-5H3.
What are the key properties of N,3,3-trimethyl-5-[4-(2-methylpropyl)phenyl]pentan-1-amine?
N,3,3-trimethyl-5-[4-(2-methylpropyl)phenyl]pentan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-5-[4-(2-methylpropyl)phenyl]pentan-1-amine is sourced from PubChem (CID 65304916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).