3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]-N-propan-2-ylpentan-1-amine

C20H35N — CID 66258058

IUPAC3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]-N-propan-2-ylpentan-1-amine
SMILESCCC(C)(C)c1ccc(CCC(C)CCNC(C)C)cc1
InChIInChI=1S/C20H35N/c1-7-20(5,6)19-12-10-18(11-13-19)9-8-17(4)14-15-21-16(2)3/h10-13,16-17,21H,7-9,14-15H2,1-6H3
InChIKeyNZDOOLNWDPWUGQ-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.33
Rot. Bonds9

About 3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]-N-propan-2-ylpentan-1-amine

3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]-N-propan-2-ylpentan-1-amine (PubChem CID 66258058) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]-N-propan-2-ylpentan-1-amine
PubChem CID66258058
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]-N-propan-2-ylpentan-1-amine
SMILESCCC(C)(C)c1ccc(CCC(C)CCNC(C)C)cc1
InChIInChI=1S/C20H35N/c1-7-20(5,6)19-12-10-18(11-13-19)9-8-17(4)14-15-21-16(2)3/h10-13,16-17,21H,7-9,14-15H2,1-6H3
InChIKeyNZDOOLNWDPWUGQ-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-ethylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 65304387
5-(4-chlorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 65304384
5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 79735912
5-(3,4-difluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 65304479
4-[4-(2-methylbutan-2-yl)phenyl]-N-(2-methylpropyl)butan-1-amine
CID 66258059
N-tert-butyl-4-[4-(2-methylbutan-2-yl)phenyl]butan-1-amine
CID 66260180
4-(4-tert-butylphenyl)-N-ethylbutan-2-amine
CID 60995834
5-[4-(2-methylbutan-2-yl)phenoxy]-N-propan-2-ylpentan-1-amine
CID 63498583
1-tert-butyl-4-(4-chloro-3-methylbutyl)benzene
CID 64665458
4-(4-tert-butylphenyl)-2-methylbutan-1-ol
CID 64666507
N-tert-butyl-5-(4-ethoxyphenyl)-3-methylpentan-1-amine
CID 65304878
N-ethyl-3,3-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine
CID 66260373

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]-N-propan-2-ylpentan-1-amine?
The IUPAC name of 3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]-N-propan-2-ylpentan-1-amine (CID 66258058) is 3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]-N-propan-2-ylpentan-1-amine is CCC(C)(C)c1ccc(CCC(C)CCNC(C)C)cc1.
What is the InChIKey of 3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]-N-propan-2-ylpentan-1-amine?
The InChIKey is NZDOOLNWDPWUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-7-20(5,6)19-12-10-18(11-13-19)9-8-17(4)14-15-21-16(2)3/h10-13,16-17,21H,7-9,14-15H2,1-6H3.
What are the key properties of 3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]-N-propan-2-ylpentan-1-amine?
3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]-N-propan-2-ylpentan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.33, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 66258058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).