3,5,5-trimethyl-1-(4-propylphenyl)hexan-1-amine

C18H31N — CID 43138780

IUPAC3,5,5-trimethyl-1-(4-propylphenyl)hexan-1-amine
SMILESCCCc1ccc(C(N)CC(C)CC(C)(C)C)cc1
InChIInChI=1S/C18H31N/c1-6-7-15-8-10-16(11-9-15)17(19)12-14(2)13-18(3,4)5/h8-11,14,17H,6-7,12-13,19H2,1-5H3
InChIKeyIOQPRDUMTVTJLC-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.10
Rot. Bonds6

About 3,5,5-trimethyl-1-(4-propylphenyl)hexan-1-amine

3,5,5-trimethyl-1-(4-propylphenyl)hexan-1-amine (PubChem CID 43138780) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 3,5,5-trimethyl-1-(4-propylphenyl)hexan-1-amine.

Molecular Properties

Compound Name3,5,5-trimethyl-1-(4-propylphenyl)hexan-1-amine
PubChem CID43138780
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name3,5,5-trimethyl-1-(4-propylphenyl)hexan-1-amine
SMILESCCCc1ccc(C(N)CC(C)CC(C)(C)C)cc1
InChIInChI=1S/C18H31N/c1-6-7-15-8-10-16(11-9-15)17(19)12-14(2)13-18(3,4)5/h8-11,14,17H,6-7,12-13,19H2,1-5H3
InChIKeyIOQPRDUMTVTJLC-UHFFFAOYSA-N
XLogP5.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-1-(4-propylphenyl)propan-1-amine
CID 43198125
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
1-(4-butylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 63508379
4,6,6-trimethyl-1-(4-propan-2-ylphenyl)heptan-2-amine
CID 115844097
N,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine
CID 43484923
N'-methyl-N'-(2-methylbutyl)-1-(4-propylphenyl)ethane-1,2-diamine
CID 43295696
1-(4-tert-butylphenyl)-3-methylpentan-1-amine
CID 114874175
3,5,5-trimethyl-1-(3-propylphenyl)hexan-1-ol
CID 115838115
ethyl 5-amino-3,3-dimethyl-5-(4-propylphenyl)pentanoate
CID 62935026
2-phenyl-1-(4-propylphenyl)ethanamine
CID 43100730
1-(4-butan-2-ylphenyl)-3,3-dimethylbutan-1-amine
CID 43103849
3-propoxy-1-(4-propylphenyl)propan-1-amine
CID 105144351

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-1-(4-propylphenyl)hexan-1-amine?
The IUPAC name of 3,5,5-trimethyl-1-(4-propylphenyl)hexan-1-amine (CID 43138780) is 3,5,5-trimethyl-1-(4-propylphenyl)hexan-1-amine.
What is the SMILES notation for 3,5,5-trimethyl-1-(4-propylphenyl)hexan-1-amine?
The canonical SMILES for 3,5,5-trimethyl-1-(4-propylphenyl)hexan-1-amine is CCCc1ccc(C(N)CC(C)CC(C)(C)C)cc1.
What is the InChIKey of 3,5,5-trimethyl-1-(4-propylphenyl)hexan-1-amine?
The InChIKey is IOQPRDUMTVTJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-6-7-15-8-10-16(11-9-15)17(19)12-14(2)13-18(3,4)5/h8-11,14,17H,6-7,12-13,19H2,1-5H3.
What are the key properties of 3,5,5-trimethyl-1-(4-propylphenyl)hexan-1-amine?
3,5,5-trimethyl-1-(4-propylphenyl)hexan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-1-(4-propylphenyl)hexan-1-amine is sourced from PubChem (CID 43138780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).