7,7-dimethyl-3-phenyl-N-propyloctan-4-amine

C19H33N — CID 115849907

IUPAC7,7-dimethyl-3-phenyl-N-propyloctan-4-amine
SMILESCCCNC(CCC(C)(C)C)C(CC)c1ccccc1
InChIInChI=1S/C19H33N/c1-6-15-20-18(13-14-19(3,4)5)17(7-2)16-11-9-8-10-12-16/h8-12,17-18,20H,6-7,13-15H2,1-5H3
InChIKeyYJAKNCPKBNZJNX-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.37
Rot. Bonds8

About 7,7-dimethyl-3-phenyl-N-propyloctan-4-amine

7,7-dimethyl-3-phenyl-N-propyloctan-4-amine (PubChem CID 115849907) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 7,7-dimethyl-3-phenyl-N-propyloctan-4-amine.

Molecular Properties

Compound Name7,7-dimethyl-3-phenyl-N-propyloctan-4-amine
PubChem CID115849907
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name7,7-dimethyl-3-phenyl-N-propyloctan-4-amine
SMILESCCCNC(CCC(C)(C)C)C(CC)c1ccccc1
InChIInChI=1S/C19H33N/c1-6-15-20-18(13-14-19(3,4)5)17(7-2)16-11-9-8-10-12-16/h8-12,17-18,20H,6-7,13-15H2,1-5H3
InChIKeyYJAKNCPKBNZJNX-UHFFFAOYSA-N
XLogP5.37
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 ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-phenylheptan-4-amine
CID 83051533
3-phenyl-N-propylpentan-2-amine
CID 66438754
3-phenyl-N-propyl-1-pyridin-2-ylpentan-2-amine
CID 104995300
3-(3-chlorophenyl)-N-propylheptan-4-amine
CID 83051541
1,5-dimethoxy-5-methyl-1-phenyl-N-propylhexan-2-amine
CID 103031290
1-(oxan-4-yl)-3-phenyl-N-propylpentan-2-amine
CID 115846790
1,1-difluoro-5,5-dimethyl-N-propylhexan-2-amine
CID 103516584
4-phenyl-N-propylhex-1-en-3-amine
CID 105000798
1-ethoxy-5,5,5-trifluoro-1-phenyl-N-propylpentan-2-amine
CID 116773836
1-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-2-amine
CID 116773735
1-(3-chlorophenyl)-2-phenyl-N-propylbutan-1-amine
CID 115811575
1-(3-chlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63411991

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3-phenyl-N-propyloctan-4-amine?
The IUPAC name of 7,7-dimethyl-3-phenyl-N-propyloctan-4-amine (CID 115849907) is 7,7-dimethyl-3-phenyl-N-propyloctan-4-amine.
What is the SMILES notation for 7,7-dimethyl-3-phenyl-N-propyloctan-4-amine?
The canonical SMILES for 7,7-dimethyl-3-phenyl-N-propyloctan-4-amine is CCCNC(CCC(C)(C)C)C(CC)c1ccccc1.
What is the InChIKey of 7,7-dimethyl-3-phenyl-N-propyloctan-4-amine?
The InChIKey is YJAKNCPKBNZJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-6-15-20-18(13-14-19(3,4)5)17(7-2)16-11-9-8-10-12-16/h8-12,17-18,20H,6-7,13-15H2,1-5H3.
What are the key properties of 7,7-dimethyl-3-phenyl-N-propyloctan-4-amine?
7,7-dimethyl-3-phenyl-N-propyloctan-4-amine has a molecular weight of 275.48 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3-phenyl-N-propyloctan-4-amine is sourced from PubChem (CID 115849907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).