N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridin-2-amine

C15H21N3 — CID 9121718

IUPACN-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridin-2-amine
SMILESc1ccc(N/N=C2\CC[C@@H]3CCCC[C@@H]3C2)nc1
InChIInChI=1S/C15H21N3/c1-2-6-13-11-14(9-8-12(13)5-1)17-18-15-7-3-4-10-16-15/h3-4,7,10,12-13H,1-2,5-6,8-9,11H2,(H,16,18)/b17-14+/t12-,13+/m0/s1
InChIKeyZWWDKRWBBAERAV-MFXGOXFXSA-N
MW243.35 g/mol
LogP3.84
Rot. Bonds2

About N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridin-2-amine

N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridin-2-amine (PubChem CID 9121718) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridin-2-amine
PubChem CID9121718
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridin-2-amine
SMILESc1ccc(N/N=C2\CC[C@@H]3CCCC[C@@H]3C2)nc1
InChIInChI=1S/C15H21N3/c1-2-6-13-11-14(9-8-12(13)5-1)17-18-15-7-3-4-10-16-15/h3-4,7,10,12-13H,1-2,5-6,8-9,11H2,(H,16,18)/b17-14+/t12-,13+/m0/s1
InChIKeyZWWDKRWBBAERAV-MFXGOXFXSA-N
XLogP3.84
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridin-2-amine?
The IUPAC name of N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridin-2-amine (CID 9121718) is N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridin-2-amine.
What is the SMILES notation for N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridin-2-amine?
The canonical SMILES for N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridin-2-amine is c1ccc(N/N=C2\CC[C@@H]3CCCC[C@@H]3C2)nc1.
What is the InChIKey of N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridin-2-amine?
The InChIKey is ZWWDKRWBBAERAV-MFXGOXFXSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-6-13-11-14(9-8-12(13)5-1)17-18-15-7-3-4-10-16-15/h3-4,7,10,12-13H,1-2,5-6,8-9,11H2,(H,16,18)/b17-14+/t12-,13+/m0/s1.
What are the key properties of N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridin-2-amine?
N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridin-2-amine has a molecular weight of 243.35 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridin-2-amine is sourced from PubChem (CID 9121718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).