2,3,4,4a,6,7,8,9,9a,9b-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine

C17H24N2 — CID 66674004

IUPAC2,3,4,4a,6,7,8,9,9a,9b-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine
SMILESNC1CCN2C3CCCCC3=C3C=CC=CC3C2C1
InChIInChI=1S/C17H24N2/c18-12-9-10-19-16-8-4-3-6-14(16)13-5-1-2-7-15(13)17(19)11-12/h1-2,5,7,12,15-17H,3-4,6,8-11,18H2
InChIKeyYRTGEMFVVBDAQL-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.77
Rot. Bonds

About 2,3,4,4a,6,7,8,9,9a,9b-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine

2,3,4,4a,6,7,8,9,9a,9b-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine (PubChem CID 66674004) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2,3,4,4a,6,7,8,9,9a,9b-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine.

Molecular Properties

Compound Name2,3,4,4a,6,7,8,9,9a,9b-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine
PubChem CID66674004
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2,3,4,4a,6,7,8,9,9a,9b-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine
SMILESNC1CCN2C3CCCCC3=C3C=CC=CC3C2C1
InChIInChI=1S/C17H24N2/c18-12-9-10-19-16-8-4-3-6-14(16)13-5-1-2-7-15(13)17(19)11-12/h1-2,5,7,12,15-17H,3-4,6,8-11,18H2
InChIKeyYRTGEMFVVBDAQL-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3,4,4a,6,7,8,9,9a,9b-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 67192496
CID 67192496
CID 22413538
CID 22413538
CID 56633701
CID 56633701
CID 129670051
CID 129670051
CID 71019352
CID 71019352
CID 142103430
CID 142103430
CID 169644069
CID 169644069
CID 129690727
CID 129690727
CID 129724120
CID 129724120
CID 129871622
CID 129871622
CID 19045822
CID 19045822
CID 19093627
CID 19093627

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,6,7,8,9,9a,9b-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine?
The IUPAC name of 2,3,4,4a,6,7,8,9,9a,9b-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine (CID 66674004) is 2,3,4,4a,6,7,8,9,9a,9b-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine.
What is the SMILES notation for 2,3,4,4a,6,7,8,9,9a,9b-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine?
The canonical SMILES for 2,3,4,4a,6,7,8,9,9a,9b-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine is NC1CCN2C3CCCCC3=C3C=CC=CC3C2C1.
What is the InChIKey of 2,3,4,4a,6,7,8,9,9a,9b-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine?
The InChIKey is YRTGEMFVVBDAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c18-12-9-10-19-16-8-4-3-6-14(16)13-5-1-2-7-15(13)17(19)11-12/h1-2,5,7,12,15-17H,3-4,6,8-11,18H2.
What are the key properties of 2,3,4,4a,6,7,8,9,9a,9b-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine?
2,3,4,4a,6,7,8,9,9a,9b-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine has a molecular weight of 256.39 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,6,7,8,9,9a,9b-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine is sourced from PubChem (CID 66674004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).