4-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine

C18H31N — CID 107893980

IUPAC4-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine
SMILESCCCNC(CCc1ccc(C)cc1)C(C)CCC
InChIInChI=1S/C18H31N/c1-5-7-16(4)18(19-14-6-2)13-12-17-10-8-15(3)9-11-17/h8-11,16,18-19H,5-7,12-14H2,1-4H3
InChIKeyYLIRIBCHHOSKBQ-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.73
Rot. Bonds9

About 4-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine

4-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine (PubChem CID 107893980) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 4-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine.

Molecular Properties

Compound Name4-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine
PubChem CID107893980
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name4-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine
SMILESCCCNC(CCc1ccc(C)cc1)C(C)CCC
InChIInChI=1S/C18H31N/c1-5-7-16(4)18(19-14-6-2)13-12-17-10-8-15(3)9-11-17/h8-11,16,18-19H,5-7,12-14H2,1-4H3
InChIKeyYLIRIBCHHOSKBQ-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-(4-methylphenyl)sulfanyl-N-propylhexan-2-amine
CID 107896580
1-(4-methylphenyl)-N-propylpentan-3-amine
CID 60994999
6-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine
CID 105127031
1-(4-methylphenyl)-N,3-dipropylhexan-2-amine
CID 82987030
7-methyl-1-(4-methylphenyl)-N-propyloctan-3-amine
CID 105177113
6-methoxy-4-methyl-N-propyl-1-pyridin-4-ylhexan-3-amine
CID 105185077
2-methyl-4-(4-methylphenyl)-N-propylbutan-1-amine
CID 64664775
4-methyl-1-(2-methylphenyl)-N-propylhexan-3-amine
CID 105170610
1,1-difluoro-3-(4-methylphenyl)-N-propylpropan-2-amine
CID 103759808
4-(4-methylphenyl)-1-propoxy-N-propylbutan-2-amine
CID 105165398
4-methoxy-1-(4-methoxyphenyl)-N-propylpentan-3-amine
CID 79615993
4-methyl-N-propyldecan-5-amine
CID 115837654

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine?
The IUPAC name of 4-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine (CID 107893980) is 4-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine.
What is the SMILES notation for 4-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine?
The canonical SMILES for 4-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine is CCCNC(CCc1ccc(C)cc1)C(C)CCC.
What is the InChIKey of 4-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine?
The InChIKey is YLIRIBCHHOSKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-5-7-16(4)18(19-14-6-2)13-12-17-10-8-15(3)9-11-17/h8-11,16,18-19H,5-7,12-14H2,1-4H3.
What are the key properties of 4-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine?
4-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine has a molecular weight of 261.45 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine is sourced from PubChem (CID 107893980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).