2,3,4,4a,9a,9b,10,11,12,13-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine

C17H24N2 — CID 66674003

IUPAC2,3,4,4a,9a,9b,10,11,12,13-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine
SMILESNC1=CC2C3CCCCC3=C3CCCCC3N2C=C1
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/h9-11,15-17H,1-8,18H2
InChIKeyZVQWGEQMBFWUMQ-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.47
Rot. Bonds

About 2,3,4,4a,9a,9b,10,11,12,13-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine

2,3,4,4a,9a,9b,10,11,12,13-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine (PubChem CID 66674003) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2,3,4,4a,9a,9b,10,11,12,13-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine.

Molecular Properties

Compound Name2,3,4,4a,9a,9b,10,11,12,13-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine
PubChem CID66674003
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2,3,4,4a,9a,9b,10,11,12,13-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine
SMILESNC1=CC2C3CCCCC3=C3CCCCC3N2C=C1
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/h9-11,15-17H,1-8,18H2
InChIKeyZVQWGEQMBFWUMQ-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3,4,4a,9a,9b,10,11,12,13-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine with MolForge

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Related Compounds

1-N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-N-[4-[(1Z)-buta-1,3-dienyl]cyclohexa-1,5-dien-1-yl]-4-N-[4-[4-(1,2,5,6,7,8-hexahydronaphthalen-2-ylamino)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]-4-N-(3,4,5,6-tetrahydronaphthalen-2-yl)cyclohexa-1,3-diene-1,4-diamine
CID 59524001
N-(1,2,7,8-tetrahydronaphthalen-2-yl)-4,4a-dihydronaphthalen-1-amine
CID 59524011
2,3,4,4a,6,7,8,9,9a,9b-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine
CID 66674004
(7R)-10-methyl-5,10-diazapentacyclo[9.7.1.17,18.02,6.012,17]icosa-1(18),2(6),12(17),15-tetraene
CID 67897149
4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-amine
CID 67925273
1,6,7,8,9,9a,10,10a-Octahydropyrido[2,3-g]quinoline
CID 67926141
1,6,7,8,9,9a,10,10a-Octahydropyrido[2,3-g]quinoline;hydrochloride
CID 67926156
11-(Cyclohexylmethyl)-1,5-diazapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,6,12(21),14,16-pentaene;hydrochloride
CID 68128459
2,3,4,4a,9a,9b,10,11,12,13-decahydro-1H-pyrido[1,2-f]phenanthridine
CID 69968240
(4S,5S)-4-methyl-9,12-diazapentacyclo[10.7.2.05,20.08,21.013,18]henicosa-1(19),10,13(18),16,20-pentaene
CID 70472060
2-N,2-N,7-N,7-N-tetrakis(prop-2-enyl)-1,3a,4,5,8,10-hexahydropyrene-2,7-diamine
CID 70573930
3-Azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-1,4,7,9,11,13,17-heptaene
CID 87390387

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,9a,9b,10,11,12,13-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine?
The IUPAC name of 2,3,4,4a,9a,9b,10,11,12,13-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine (CID 66674003) is 2,3,4,4a,9a,9b,10,11,12,13-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine.
What is the SMILES notation for 2,3,4,4a,9a,9b,10,11,12,13-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine?
The canonical SMILES for 2,3,4,4a,9a,9b,10,11,12,13-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine is NC1=CC2C3CCCCC3=C3CCCCC3N2C=C1.
What is the InChIKey of 2,3,4,4a,9a,9b,10,11,12,13-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine?
The InChIKey is ZVQWGEQMBFWUMQ-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/h9-11,15-17H,1-8,18H2.
What are the key properties of 2,3,4,4a,9a,9b,10,11,12,13-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine?
2,3,4,4a,9a,9b,10,11,12,13-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine has a molecular weight of 256.39 g/mol, XLogP of 3.47, 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,9a,9b,10,11,12,13-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine is sourced from PubChem (CID 66674003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).