1-(3-azabicyclo[4.1.0]hepta-2,4-dien-5-yl)-N,N-bis(pyridin-2-ylmethyl)ethenamine

C20H20N4 — CID 144884140

IUPAC1-(3-azabicyclo[4.1.0]hepta-2,4-dien-5-yl)-N,N-bis(pyridin-2-ylmethyl)ethenamine
SMILESC=C(C1=CN=CC2CC12)N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C20H20N4/c1-15(20-12-21-11-16-10-19(16)20)24(13-17-6-2-4-8-22-17)14-18-7-3-5-9-23-18/h2-9,11-12,16,19H,1,10,13-14H2
InChIKeyPRGGJSOBOZOWTF-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.60
Rot. Bonds6

About 1-(3-azabicyclo[4.1.0]hepta-2,4-dien-5-yl)-N,N-bis(pyridin-2-ylmethyl)ethenamine

1-(3-azabicyclo[4.1.0]hepta-2,4-dien-5-yl)-N,N-bis(pyridin-2-ylmethyl)ethenamine (PubChem CID 144884140) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-(3-azabicyclo[4.1.0]hepta-2,4-dien-5-yl)-N,N-bis(pyridin-2-ylmethyl)ethenamine.

Molecular Properties

Compound Name1-(3-azabicyclo[4.1.0]hepta-2,4-dien-5-yl)-N,N-bis(pyridin-2-ylmethyl)ethenamine
PubChem CID144884140
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name1-(3-azabicyclo[4.1.0]hepta-2,4-dien-5-yl)-N,N-bis(pyridin-2-ylmethyl)ethenamine
SMILESC=C(C1=CN=CC2CC12)N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C20H20N4/c1-15(20-12-21-11-16-10-19(16)20)24(13-17-6-2-4-8-22-17)14-18-7-3-5-9-23-18/h2-9,11-12,16,19H,1,10,13-14H2
InChIKeyPRGGJSOBOZOWTF-UHFFFAOYSA-N
XLogP3.60
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-azabicyclo[4.1.0]hepta-2,4-dien-5-yl)-N,N-bis(pyridin-2-ylmethyl)ethenamine with MolForge

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Related Compounds

1-pyridin-3-yl-N,N-bis(pyridin-2-ylmethyl)ethenamine
CID 118234431
(E)-N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine
CID 22115004
3-(1-adamantyl)-1,1-bis(pyridin-2-ylmethyl)thiourea
CID 23736254
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
2-(2-methylprop-2-enyl)pyridine
CID 12534227
CID 88902013
CID 88902013
2-[2,2-dimethylpropanoyl(pyridin-2-ylmethyl)amino]acetic acid
CID 20627822
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide
CID 113120220
(2S)-2-[bis(pyridin-2-ylmethyl)amino]-N,N-bis(pyridin-2-ylmethyl)propanamide
CID 102088447
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120

Frequently Asked Questions

What is the IUPAC name of 1-(3-azabicyclo[4.1.0]hepta-2,4-dien-5-yl)-N,N-bis(pyridin-2-ylmethyl)ethenamine?
The IUPAC name of 1-(3-azabicyclo[4.1.0]hepta-2,4-dien-5-yl)-N,N-bis(pyridin-2-ylmethyl)ethenamine (CID 144884140) is 1-(3-azabicyclo[4.1.0]hepta-2,4-dien-5-yl)-N,N-bis(pyridin-2-ylmethyl)ethenamine.
What is the SMILES notation for 1-(3-azabicyclo[4.1.0]hepta-2,4-dien-5-yl)-N,N-bis(pyridin-2-ylmethyl)ethenamine?
The canonical SMILES for 1-(3-azabicyclo[4.1.0]hepta-2,4-dien-5-yl)-N,N-bis(pyridin-2-ylmethyl)ethenamine is C=C(C1=CN=CC2CC12)N(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of 1-(3-azabicyclo[4.1.0]hepta-2,4-dien-5-yl)-N,N-bis(pyridin-2-ylmethyl)ethenamine?
The InChIKey is PRGGJSOBOZOWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-15(20-12-21-11-16-10-19(16)20)24(13-17-6-2-4-8-22-17)14-18-7-3-5-9-23-18/h2-9,11-12,16,19H,1,10,13-14H2.
What are the key properties of 1-(3-azabicyclo[4.1.0]hepta-2,4-dien-5-yl)-N,N-bis(pyridin-2-ylmethyl)ethenamine?
1-(3-azabicyclo[4.1.0]hepta-2,4-dien-5-yl)-N,N-bis(pyridin-2-ylmethyl)ethenamine has a molecular weight of 316.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azabicyclo[4.1.0]hepta-2,4-dien-5-yl)-N,N-bis(pyridin-2-ylmethyl)ethenamine is sourced from PubChem (CID 144884140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).