3-undec-10-enyl-1,2,3,4-tetrahydrophenanthren-4-amine

C25H35N — CID 15754879

IUPAC3-undec-10-enyl-1,2,3,4-tetrahydrophenanthren-4-amine
SMILESC=CCCCCCCCCCC1CCc2ccc3ccccc3c2C1N
InChIInChI=1S/C25H35N/c1-2-3-4-5-6-7-8-9-10-14-22-19-18-21-17-16-20-13-11-12-15-23(20)24(21)25(22)26/h2,11-13,15-17,22,25H,1,3-10,14,18-19,26H2
InChIKeyGTWQQUXTTZRPCI-UHFFFAOYSA-N
MW349.56 g/mol
LogP7.10
Rot. Bonds10

About 3-undec-10-enyl-1,2,3,4-tetrahydrophenanthren-4-amine

3-undec-10-enyl-1,2,3,4-tetrahydrophenanthren-4-amine (PubChem CID 15754879) has the molecular formula C25H35N and a molecular weight of 349.56 g/mol. Its IUPAC name is 3-undec-10-enyl-1,2,3,4-tetrahydrophenanthren-4-amine.

Molecular Properties

Compound Name3-undec-10-enyl-1,2,3,4-tetrahydrophenanthren-4-amine
PubChem CID15754879
Molecular FormulaC25H35N
Molecular Weight349.56 g/mol
Exact Mass349.28
IUPAC Name3-undec-10-enyl-1,2,3,4-tetrahydrophenanthren-4-amine
SMILESC=CCCCCCCCCCC1CCc2ccc3ccccc3c2C1N
InChIInChI=1S/C25H35N/c1-2-3-4-5-6-7-8-9-10-14-22-19-18-21-17-16-20-13-11-12-15-23(20)24(21)25(22)26/h2,11-13,15-17,22,25H,1,3-10,14,18-19,26H2
InChIKeyGTWQQUXTTZRPCI-UHFFFAOYSA-N
XLogP7.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.56
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-undec-10-enyl-1,2,3,4-tetrahydrophenanthren-4-amine?
The IUPAC name of 3-undec-10-enyl-1,2,3,4-tetrahydrophenanthren-4-amine (CID 15754879) is 3-undec-10-enyl-1,2,3,4-tetrahydrophenanthren-4-amine.
What is the SMILES notation for 3-undec-10-enyl-1,2,3,4-tetrahydrophenanthren-4-amine?
The canonical SMILES for 3-undec-10-enyl-1,2,3,4-tetrahydrophenanthren-4-amine is C=CCCCCCCCCCC1CCc2ccc3ccccc3c2C1N.
What is the InChIKey of 3-undec-10-enyl-1,2,3,4-tetrahydrophenanthren-4-amine?
The InChIKey is GTWQQUXTTZRPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N/c1-2-3-4-5-6-7-8-9-10-14-22-19-18-21-17-16-20-13-11-12-15-23(20)24(21)25(22)26/h2,11-13,15-17,22,25H,1,3-10,14,18-19,26H2.
What are the key properties of 3-undec-10-enyl-1,2,3,4-tetrahydrophenanthren-4-amine?
3-undec-10-enyl-1,2,3,4-tetrahydrophenanthren-4-amine has a molecular weight of 349.56 g/mol, XLogP of 7.10, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-undec-10-enyl-1,2,3,4-tetrahydrophenanthren-4-amine is sourced from PubChem (CID 15754879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).