6,6-dimethyl-1-(3-methylphenyl)-N-propylheptan-3-amine

C19H33N — CID 105140177

IUPAC6,6-dimethyl-1-(3-methylphenyl)-N-propylheptan-3-amine
SMILESCCCNC(CCc1cccc(C)c1)CCC(C)(C)C
InChIInChI=1S/C19H33N/c1-6-14-20-18(12-13-19(3,4)5)11-10-17-9-7-8-16(2)15-17/h7-9,15,18,20H,6,10-14H2,1-5H3
InChIKeyGUICCQAVCAUFTC-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.12
Rot. Bonds8

About 6,6-dimethyl-1-(3-methylphenyl)-N-propylheptan-3-amine

6,6-dimethyl-1-(3-methylphenyl)-N-propylheptan-3-amine (PubChem CID 105140177) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 6,6-dimethyl-1-(3-methylphenyl)-N-propylheptan-3-amine.

Molecular Properties

Compound Name6,6-dimethyl-1-(3-methylphenyl)-N-propylheptan-3-amine
PubChem CID105140177
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name6,6-dimethyl-1-(3-methylphenyl)-N-propylheptan-3-amine
SMILESCCCNC(CCc1cccc(C)c1)CCC(C)(C)C
InChIInChI=1S/C19H33N/c1-6-14-20-18(12-13-19(3,4)5)11-10-17-9-7-8-16(2)15-17/h7-9,15,18,20H,6,10-14H2,1-5H3
InChIKeyGUICCQAVCAUFTC-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[6,6-dimethyl-1-(3-methylphenyl)heptan-3-yl]hydrazine
CID 105300120
4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine
CID 63528116
2,2,8,8-tetramethyl-N-propylnonan-5-amine
CID 173351827
1-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
CID 55187933
4-(3-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)-N-propylbutan-2-amine
CID 105159133
5-(3-methylphenyl)-N-propylpent-1-en-3-amine
CID 105161314
[5,5-dimethyl-1-(3-methylphenyl)hexan-2-yl]hydrazine
CID 105208965
6,6,6-trifluoro-1-(3-methylphenyl)-N-propylhexan-2-amine
CID 115516541
6-methoxy-N,6-dimethyl-1-(3-methylphenyl)heptan-3-amine
CID 103032202
5,5-dimethyl-2-(3-methylphenyl)-N-propylhexan-1-amine
CID 79416848
3-(3-methylphenyl)-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine
CID 105162164
1-(3-fluorophenyl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 63417000

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(3-methylphenyl)-N-propylheptan-3-amine?
The IUPAC name of 6,6-dimethyl-1-(3-methylphenyl)-N-propylheptan-3-amine (CID 105140177) is 6,6-dimethyl-1-(3-methylphenyl)-N-propylheptan-3-amine.
What is the SMILES notation for 6,6-dimethyl-1-(3-methylphenyl)-N-propylheptan-3-amine?
The canonical SMILES for 6,6-dimethyl-1-(3-methylphenyl)-N-propylheptan-3-amine is CCCNC(CCc1cccc(C)c1)CCC(C)(C)C.
What is the InChIKey of 6,6-dimethyl-1-(3-methylphenyl)-N-propylheptan-3-amine?
The InChIKey is GUICCQAVCAUFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-6-14-20-18(12-13-19(3,4)5)11-10-17-9-7-8-16(2)15-17/h7-9,15,18,20H,6,10-14H2,1-5H3.
What are the key properties of 6,6-dimethyl-1-(3-methylphenyl)-N-propylheptan-3-amine?
6,6-dimethyl-1-(3-methylphenyl)-N-propylheptan-3-amine has a molecular weight of 275.48 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(3-methylphenyl)-N-propylheptan-3-amine is sourced from PubChem (CID 105140177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).