6,6-dimethyl-N-[1-(4-methylphenyl)ethenyl]heptan-2-amine

C18H29N — CID 143117766

IUPAC6,6-dimethyl-N-[1-(4-methylphenyl)ethenyl]heptan-2-amine
SMILESC=C(NC(C)CCCC(C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C18H29N/c1-14-9-11-17(12-10-14)16(3)19-15(2)8-7-13-18(4,5)6/h9-12,15,19H,3,7-8,13H2,1-2,4-6H3
InChIKeyPIVTVZIOXUNIQR-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.16
Rot. Bonds6

About 6,6-dimethyl-N-[1-(4-methylphenyl)ethenyl]heptan-2-amine

6,6-dimethyl-N-[1-(4-methylphenyl)ethenyl]heptan-2-amine (PubChem CID 143117766) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 6,6-dimethyl-N-[1-(4-methylphenyl)ethenyl]heptan-2-amine.

Molecular Properties

Compound Name6,6-dimethyl-N-[1-(4-methylphenyl)ethenyl]heptan-2-amine
PubChem CID143117766
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name6,6-dimethyl-N-[1-(4-methylphenyl)ethenyl]heptan-2-amine
SMILESC=C(NC(C)CCCC(C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C18H29N/c1-14-9-11-17(12-10-14)16(3)19-15(2)8-7-13-18(4,5)6/h9-12,15,19H,3,7-8,13H2,1-2,4-6H3
InChIKeyPIVTVZIOXUNIQR-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-methylphenyl)ethenyl]heptan-4-amine
CID 166131643
(3S)-2,6-dimethyl-N-[1-(4-methylphenyl)ethenyl]hepta-1,6-dien-3-amine
CID 170007341
6,6-dimethyl-N-[3-(prop-2-enylideneamino)buta-1,3-dien-2-yl]heptan-2-amine
CID 89114404
(2S)-6,6-dimethyl-N-propan-2-ylheptan-2-amine
CID 166938089
(4S)-4-(4-methylanilino)pentan-1-ol
CID 94830686
6,6,6-trifluoro-N-[1-(4-methylphenyl)ethyl]hexan-2-amine
CID 116534570
(4R)-4-[(4-methylphenyl)methylamino]pentan-1-ol
CID 97051524
N-(4-bromobutan-2-yl)-4-methylbenzamide
CID 83180516
N-methoxy-1-(4-methylphenyl)ethenamine
CID 56975753
N-(7,7-dimethyloct-1-en-2-yl)-4-prop-1-en-2-ylaniline
CID 146304151
1-methyl-4-[7-(4-methylphenyl)octa-1,7-dien-2-yl]benzene
CID 15247721
1-methyl-4-[4-(5-methylhex-1-en-2-yl)phenyl]benzene
CID 163776983

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-N-[1-(4-methylphenyl)ethenyl]heptan-2-amine?
The IUPAC name of 6,6-dimethyl-N-[1-(4-methylphenyl)ethenyl]heptan-2-amine (CID 143117766) is 6,6-dimethyl-N-[1-(4-methylphenyl)ethenyl]heptan-2-amine.
What is the SMILES notation for 6,6-dimethyl-N-[1-(4-methylphenyl)ethenyl]heptan-2-amine?
The canonical SMILES for 6,6-dimethyl-N-[1-(4-methylphenyl)ethenyl]heptan-2-amine is C=C(NC(C)CCCC(C)(C)C)c1ccc(C)cc1.
What is the InChIKey of 6,6-dimethyl-N-[1-(4-methylphenyl)ethenyl]heptan-2-amine?
The InChIKey is PIVTVZIOXUNIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-14-9-11-17(12-10-14)16(3)19-15(2)8-7-13-18(4,5)6/h9-12,15,19H,3,7-8,13H2,1-2,4-6H3.
What are the key properties of 6,6-dimethyl-N-[1-(4-methylphenyl)ethenyl]heptan-2-amine?
6,6-dimethyl-N-[1-(4-methylphenyl)ethenyl]heptan-2-amine has a molecular weight of 259.44 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-N-[1-(4-methylphenyl)ethenyl]heptan-2-amine is sourced from PubChem (CID 143117766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).