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

C18H31N — CID 105127031

IUPAC6-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine
SMILESCCCNC(CCc1ccc(C)cc1)CCC(C)C
InChIInChI=1S/C18H31N/c1-5-14-19-18(12-6-15(2)3)13-11-17-9-7-16(4)8-10-17/h7-10,15,18-19H,5-6,11-14H2,1-4H3
InChIKeyPQYGZAYHPVHLBP-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.73
Rot. Bonds9

About 6-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine

6-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine (PubChem CID 105127031) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 6-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine.

Molecular Properties

Compound Name6-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine
PubChem CID105127031
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name6-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine
SMILESCCCNC(CCc1ccc(C)cc1)CCC(C)C
InChIInChI=1S/C18H31N/c1-5-14-19-18(12-6-15(2)3)13-11-17-9-7-16(4)8-10-17/h7-10,15,18-19H,5-6,11-14H2,1-4H3
InChIKeyPQYGZAYHPVHLBP-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

7-methyl-1-(4-methylphenyl)-N-propyloctan-3-amine
CID 105177113
1-(4-methylphenyl)-N-propylpentan-3-amine
CID 60994999
6-methyl-1-(4-methylphenyl)-N-propylhept-6-en-3-amine
CID 105182618
4-(4-methylphenyl)-1-propoxy-N-propylbutan-2-amine
CID 105165398
1-cyclopentyl-4-(4-methylphenyl)-N-propylbutan-2-amine
CID 105138992
4-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine
CID 107893980
1-(4-iodophenyl)-N-propylhexan-3-amine
CID 65479065
1-(furan-2-yl)-4-(4-methylphenyl)-N-propylbutan-2-amine
CID 105177408
6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
CID 103009592
2-methyl-4-(4-methylphenyl)-N-propylbutan-1-amine
CID 64664775
4-(4-methylphenyl)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine
CID 107064323
1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine
CID 79089217

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine?
The IUPAC name of 6-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine (CID 105127031) is 6-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine.
What is the SMILES notation for 6-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine?
The canonical SMILES for 6-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine is CCCNC(CCc1ccc(C)cc1)CCC(C)C.
What is the InChIKey of 6-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine?
The InChIKey is PQYGZAYHPVHLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-5-14-19-18(12-6-15(2)3)13-11-17-9-7-16(4)8-10-17/h7-10,15,18-19H,5-6,11-14H2,1-4H3.
What are the key properties of 6-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine?
6-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 6-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine is sourced from PubChem (CID 105127031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).