3,3-dimethyl-5-(4-methylphenyl)-N-propan-2-ylpentan-1-amine

C17H29N — CID 65304944

IUPAC3,3-dimethyl-5-(4-methylphenyl)-N-propan-2-ylpentan-1-amine
SMILESCc1ccc(CCC(C)(C)CCNC(C)C)cc1
InChIInChI=1S/C17H29N/c1-14(2)18-13-12-17(4,5)11-10-16-8-6-15(3)7-9-16/h6-9,14,18H,10-13H2,1-5H3
InChIKeyRARVBWDSHJXQCA-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.34
Rot. Bonds7

About 3,3-dimethyl-5-(4-methylphenyl)-N-propan-2-ylpentan-1-amine

3,3-dimethyl-5-(4-methylphenyl)-N-propan-2-ylpentan-1-amine (PubChem CID 65304944) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 3,3-dimethyl-5-(4-methylphenyl)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-5-(4-methylphenyl)-N-propan-2-ylpentan-1-amine
PubChem CID65304944
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name3,3-dimethyl-5-(4-methylphenyl)-N-propan-2-ylpentan-1-amine
SMILESCc1ccc(CCC(C)(C)CCNC(C)C)cc1
InChIInChI=1S/C17H29N/c1-14(2)18-13-12-17(4,5)11-10-16-8-6-15(3)7-9-16/h6-9,14,18H,10-13H2,1-5H3
InChIKeyRARVBWDSHJXQCA-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine
CID 79734919
6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine
CID 65308626
1-(4-iodo-3,3-dimethylbutyl)-4-methylbenzene
CID 135084054
2,2-dimethyl-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 62724741
N,3,3-trimethyl-5-[4-(2-methylpropyl)phenyl]pentan-1-amine
CID 65304916
3,3-dimethyl-N-propan-2-yl-4-(2,4,6-trimethylphenyl)butan-1-amine
CID 81022510
5-(4-fluoro-2,6-dimethylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine
CID 106880149
2,2-dimethyl-4-phenyl-N-propan-2-ylbutan-1-amine
CID 65308891
N-ethyl-2,2-dimethyl-4-(4-methylphenyl)butan-1-amine
CID 65308675
N-tert-butyl-5-(4-chlorophenyl)-3,3-dimethylpentan-1-amine
CID 65304678
5-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine
CID 65305104
3,3-dimethyl-4-(2-methylphenyl)-N-propan-2-ylbutan-1-amine
CID 81022087

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(4-methylphenyl)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 3,3-dimethyl-5-(4-methylphenyl)-N-propan-2-ylpentan-1-amine (CID 65304944) is 3,3-dimethyl-5-(4-methylphenyl)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-5-(4-methylphenyl)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 3,3-dimethyl-5-(4-methylphenyl)-N-propan-2-ylpentan-1-amine is Cc1ccc(CCC(C)(C)CCNC(C)C)cc1.
What is the InChIKey of 3,3-dimethyl-5-(4-methylphenyl)-N-propan-2-ylpentan-1-amine?
The InChIKey is RARVBWDSHJXQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-14(2)18-13-12-17(4,5)11-10-16-8-6-15(3)7-9-16/h6-9,14,18H,10-13H2,1-5H3.
What are the key properties of 3,3-dimethyl-5-(4-methylphenyl)-N-propan-2-ylpentan-1-amine?
3,3-dimethyl-5-(4-methylphenyl)-N-propan-2-ylpentan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(4-methylphenyl)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 65304944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).