2,7-dimethyl-2-phenyl-N-propyloctan-3-amine

C19H33N — CID 83162206

IUPAC2,7-dimethyl-2-phenyl-N-propyloctan-3-amine
SMILESCCCNC(CCCC(C)C)C(C)(C)c1ccccc1
InChIInChI=1S/C19H33N/c1-6-15-20-18(14-10-11-16(2)3)19(4,5)17-12-8-7-9-13-17/h7-9,12-13,16,18,20H,6,10-11,14-15H2,1-5H3
InChIKeyQPSGGOLDNWRBNB-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.16
Rot. Bonds9

About 2,7-dimethyl-2-phenyl-N-propyloctan-3-amine

2,7-dimethyl-2-phenyl-N-propyloctan-3-amine (PubChem CID 83162206) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 2,7-dimethyl-2-phenyl-N-propyloctan-3-amine.

Molecular Properties

Compound Name2,7-dimethyl-2-phenyl-N-propyloctan-3-amine
PubChem CID83162206
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name2,7-dimethyl-2-phenyl-N-propyloctan-3-amine
SMILESCCCNC(CCCC(C)C)C(C)(C)c1ccccc1
InChIInChI=1S/C19H33N/c1-6-15-20-18(14-10-11-16(2)3)19(4,5)17-12-8-7-9-13-17/h7-9,12-13,16,18,20H,6,10-11,14-15H2,1-5H3
InChIKeyQPSGGOLDNWRBNB-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-6-methylsulfonyl-2-phenyl-N-propylhexan-3-amine
CID 63192548
5-ethyl-2-methyl-5-phenyl-N-propylheptan-4-amine
CID 63417732
2,4-dimethyl-2-phenyl-N-propylhexan-3-amine
CID 79446921
(2-methyl-2-phenylhexan-3-yl)hydrazine
CID 105216295
2-methyl-1-(4-methylphenyl)-2-phenyl-N-propylpropan-1-amine
CID 43495094
2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine
CID 79198405
2,3,6-trimethylheptan-2-ylbenzene
CID 20588991
N,2,4-trimethyl-2-phenylheptan-3-amine
CID 107893976
1-ethoxy-N,3-dimethyl-3-phenylbutan-2-amine
CID 79574847
2-(4-fluorophenyl)-2,5-dimethyl-N-propyloctan-3-amine
CID 64769158
N-ethyl-2-methyl-2-phenyloct-6-yn-3-amine
CID 104805470
1-cyclopentyl-2-methyl-2-phenyl-N-propylpropan-1-amine
CID 55187961

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-2-phenyl-N-propyloctan-3-amine?
The IUPAC name of 2,7-dimethyl-2-phenyl-N-propyloctan-3-amine (CID 83162206) is 2,7-dimethyl-2-phenyl-N-propyloctan-3-amine.
What is the SMILES notation for 2,7-dimethyl-2-phenyl-N-propyloctan-3-amine?
The canonical SMILES for 2,7-dimethyl-2-phenyl-N-propyloctan-3-amine is CCCNC(CCCC(C)C)C(C)(C)c1ccccc1.
What is the InChIKey of 2,7-dimethyl-2-phenyl-N-propyloctan-3-amine?
The InChIKey is QPSGGOLDNWRBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-6-15-20-18(14-10-11-16(2)3)19(4,5)17-12-8-7-9-13-17/h7-9,12-13,16,18,20H,6,10-11,14-15H2,1-5H3.
What are the key properties of 2,7-dimethyl-2-phenyl-N-propyloctan-3-amine?
2,7-dimethyl-2-phenyl-N-propyloctan-3-amine has a molecular weight of 275.48 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-2-phenyl-N-propyloctan-3-amine is sourced from PubChem (CID 83162206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).