3-(1-pyridin-2-ylethylideneamino)-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]propan-1-amine

C19H25N5 — CID 139178723

IUPAC3-(1-pyridin-2-ylethylideneamino)-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]propan-1-amine
SMILESC/C(=N\CCCNCC/N=C(\C)c1ccccn1)c1ccccn1
InChIInChI=1S/C19H25N5/c1-16(18-8-3-5-11-23-18)21-13-7-10-20-14-15-22-17(2)19-9-4-6-12-24-19/h3-6,8-9,11-12,20H,7,10,13-15H2,1-2H3/b21-16+,22-17+
InChIKeyPKCJHUUDMGADMK-LPFJTETCSA-N
MW323.44 g/mol
LogP2.77
Rot. Bonds9

About 3-(1-pyridin-2-ylethylideneamino)-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]propan-1-amine

3-(1-pyridin-2-ylethylideneamino)-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]propan-1-amine (PubChem CID 139178723) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-(1-pyridin-2-ylethylideneamino)-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-(1-pyridin-2-ylethylideneamino)-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]propan-1-amine
PubChem CID139178723
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name3-(1-pyridin-2-ylethylideneamino)-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]propan-1-amine
SMILESC/C(=N\CCCNCC/N=C(\C)c1ccccn1)c1ccccn1
InChIInChI=1S/C19H25N5/c1-16(18-8-3-5-11-23-18)21-13-7-10-20-14-15-22-17(2)19-9-4-6-12-24-19/h3-6,8-9,11-12,20H,7,10,13-15H2,1-2H3/b21-16+,22-17+
InChIKeyPKCJHUUDMGADMK-LPFJTETCSA-N
XLogP2.77
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-pyridin-2-yl-N-[3-(1-pyridin-2-ylethylideneamino)propyl]ethanimine
CID 14907728
N-butyl-1-pyridin-2-ylethanimine
CID 583773
dichlorovanadium;3-(1-pyridin-2-ylethylideneamino)propan-1-ol
CID 59378654
[(E)-1-pyridin-2-ylethylideneamino]methanol
CID 121226769
N-[2,2-dimethyl-3-(1-pyridin-2-ylethylideneamino)propyl]-1-pyridin-2-ylethanimine
CID 102087049
dicopper;bis(N,N-dimethyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraisothiocyanate
CID 139081439
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
[(E)-1-pyridin-2-ylethylideneamino]methylthiourea
CID 145130202
[2-(1-pyridin-2-ylethylidene)hydrazinyl]methanethiol
CID 173340240
N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide
CID 4258546
N-methoxy-1-pyridin-2-ylethanimine
CID 87078601
1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 3005983

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyridin-2-ylethylideneamino)-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]propan-1-amine?
The IUPAC name of 3-(1-pyridin-2-ylethylideneamino)-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]propan-1-amine (CID 139178723) is 3-(1-pyridin-2-ylethylideneamino)-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]propan-1-amine.
What is the SMILES notation for 3-(1-pyridin-2-ylethylideneamino)-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]propan-1-amine?
The canonical SMILES for 3-(1-pyridin-2-ylethylideneamino)-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]propan-1-amine is C/C(=N\CCCNCC/N=C(\C)c1ccccn1)c1ccccn1.
What is the InChIKey of 3-(1-pyridin-2-ylethylideneamino)-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]propan-1-amine?
The InChIKey is PKCJHUUDMGADMK-LPFJTETCSA-N. The full InChI is InChI=1S/C19H25N5/c1-16(18-8-3-5-11-23-18)21-13-7-10-20-14-15-22-17(2)19-9-4-6-12-24-19/h3-6,8-9,11-12,20H,7,10,13-15H2,1-2H3/b21-16+,22-17+.
What are the key properties of 3-(1-pyridin-2-ylethylideneamino)-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]propan-1-amine?
3-(1-pyridin-2-ylethylideneamino)-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]propan-1-amine has a molecular weight of 323.44 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyridin-2-ylethylideneamino)-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]propan-1-amine is sourced from PubChem (CID 139178723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).