1-(7-bicyclo[4.1.0]heptanyl)-3-phenyl-N-propylpropan-1-amine

C19H29N — CID 115793737

IUPAC1-(7-bicyclo[4.1.0]heptanyl)-3-phenyl-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccccc1)C1C2CCCCC21
InChIInChI=1S/C19H29N/c1-2-14-20-18(13-12-15-8-4-3-5-9-15)19-16-10-6-7-11-17(16)19/h3-5,8-9,16-20H,2,6-7,10-14H2,1H3
InChIKeyKAKMVYQJXITXPV-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.42
Rot. Bonds7

About 1-(7-bicyclo[4.1.0]heptanyl)-3-phenyl-N-propylpropan-1-amine

1-(7-bicyclo[4.1.0]heptanyl)-3-phenyl-N-propylpropan-1-amine (PubChem CID 115793737) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 1-(7-bicyclo[4.1.0]heptanyl)-3-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(7-bicyclo[4.1.0]heptanyl)-3-phenyl-N-propylpropan-1-amine
PubChem CID115793737
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name1-(7-bicyclo[4.1.0]heptanyl)-3-phenyl-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccccc1)C1C2CCCCC21
InChIInChI=1S/C19H29N/c1-2-14-20-18(13-12-15-8-4-3-5-9-15)19-16-10-6-7-11-17(16)19/h3-5,8-9,16-20H,2,6-7,10-14H2,1H3
InChIKeyKAKMVYQJXITXPV-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 115794372
1-(6-bicyclo[3.1.0]hexanyl)-N-ethyl-4-phenylbutan-1-amine
CID 115849575
3-phenyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
CID 115794268
1-(4-methylcyclohexyl)-4-phenyl-N-propylbutan-1-amine
CID 63415913
1-(1,4-dioxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 65352692
N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 115842387
1-(2,2-dimethylcyclopropyl)-4-phenyl-N-propylbutan-1-amine
CID 107004361
1-cyclobutyl-3-(4-methoxyphenyl)-N-propylpropan-1-amine
CID 65446483
1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine
CID 62600838
N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115840919
1-(1,3-dioxolan-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 103546421
(1-cyclohexyl-3-phenylpropyl)hydrazine
CID 105201730

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-3-phenyl-N-propylpropan-1-amine?
The IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-3-phenyl-N-propylpropan-1-amine (CID 115793737) is 1-(7-bicyclo[4.1.0]heptanyl)-3-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(7-bicyclo[4.1.0]heptanyl)-3-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(7-bicyclo[4.1.0]heptanyl)-3-phenyl-N-propylpropan-1-amine is CCCNC(CCc1ccccc1)C1C2CCCCC21.
What is the InChIKey of 1-(7-bicyclo[4.1.0]heptanyl)-3-phenyl-N-propylpropan-1-amine?
The InChIKey is KAKMVYQJXITXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-2-14-20-18(13-12-15-8-4-3-5-9-15)19-16-10-6-7-11-17(16)19/h3-5,8-9,16-20H,2,6-7,10-14H2,1H3.
What are the key properties of 1-(7-bicyclo[4.1.0]heptanyl)-3-phenyl-N-propylpropan-1-amine?
1-(7-bicyclo[4.1.0]heptanyl)-3-phenyl-N-propylpropan-1-amine has a molecular weight of 271.45 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.1.0]heptanyl)-3-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 115793737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).