2-N,4-N-dimethyl-3-[3-(propan-2-ylideneamino)propyl]pentane-2,4-diimine

C13H25N3 — CID 123867907

IUPAC2-N,4-N-dimethyl-3-[3-(propan-2-ylideneamino)propyl]pentane-2,4-diimine
SMILESC/N=C(\C)C(CCCN=C(C)C)/C(C)=N/C
InChIInChI=1S/C13H25N3/c1-10(2)16-9-7-8-13(11(3)14-5)12(4)15-6/h13H,7-9H2,1-6H3/b14-11+,15-12+
InChIKeyGSYHTSKERPTMHA-LCPPQYOVSA-N
MW223.36 g/mol
LogP3.05
Rot. Bonds6

About 2-N,4-N-dimethyl-3-[3-(propan-2-ylideneamino)propyl]pentane-2,4-diimine

2-N,4-N-dimethyl-3-[3-(propan-2-ylideneamino)propyl]pentane-2,4-diimine (PubChem CID 123867907) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-3-[3-(propan-2-ylideneamino)propyl]pentane-2,4-diimine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-3-[3-(propan-2-ylideneamino)propyl]pentane-2,4-diimine
PubChem CID123867907
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-N,4-N-dimethyl-3-[3-(propan-2-ylideneamino)propyl]pentane-2,4-diimine
SMILESC/N=C(\C)C(CCCN=C(C)C)/C(C)=N/C
InChIInChI=1S/C13H25N3/c1-10(2)16-9-7-8-13(11(3)14-5)12(4)15-6/h13H,7-9H2,1-6H3/b14-11+,15-12+
InChIKeyGSYHTSKERPTMHA-LCPPQYOVSA-N
XLogP3.05
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-N,4-N-dimethyl-3-[3-(propan-2-ylideneamino)propyl]pentane-2,4-diimine 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

2-amino-5-(propan-2-ylideneamino)pentane-1,1-diol
CID 129031599
3-(C,N-dimethylcarbonimidoyl)-4-methyliminopentanoic acid
CID 90820100
N-(3-methoxysilylpropyl)propan-2-imine
CID 123573616
N-[3-[methoxy(dimethyl)silyl]propyl]propan-2-imine
CID 87583755
3-imino-6-(propan-2-ylideneamino)hexan-2-amine
CID 155364820
ethane;2-(4-methylpentyl)guanidine
CID 170602256
N-[3-[ethoxy(methyl)silyl]propyl]propan-2-imine
CID 172758866
N'-[(5S)-5-amino-6,7,8-trihydroxyoctyl]ethanimidamide
CID 20638021
(2S,3S)-3-amino-7-(1-aminoethylideneamino)-2-hydroxyheptanoic acid
CID 20638014
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;acetate
CID 87670814
4-methyl-N-[4-(4-methylpentan-2-ylideneamino)butyl]pentan-2-imine
CID 71352712
(2R)-5-(1-aminoethylideneamino)-2-methylpentanoic acid
CID 90976628

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-3-[3-(propan-2-ylideneamino)propyl]pentane-2,4-diimine?
The IUPAC name of 2-N,4-N-dimethyl-3-[3-(propan-2-ylideneamino)propyl]pentane-2,4-diimine (CID 123867907) is 2-N,4-N-dimethyl-3-[3-(propan-2-ylideneamino)propyl]pentane-2,4-diimine.
What is the SMILES notation for 2-N,4-N-dimethyl-3-[3-(propan-2-ylideneamino)propyl]pentane-2,4-diimine?
The canonical SMILES for 2-N,4-N-dimethyl-3-[3-(propan-2-ylideneamino)propyl]pentane-2,4-diimine is C/N=C(\C)C(CCCN=C(C)C)/C(C)=N/C.
What is the InChIKey of 2-N,4-N-dimethyl-3-[3-(propan-2-ylideneamino)propyl]pentane-2,4-diimine?
The InChIKey is GSYHTSKERPTMHA-LCPPQYOVSA-N. The full InChI is InChI=1S/C13H25N3/c1-10(2)16-9-7-8-13(11(3)14-5)12(4)15-6/h13H,7-9H2,1-6H3/b14-11+,15-12+.
What are the key properties of 2-N,4-N-dimethyl-3-[3-(propan-2-ylideneamino)propyl]pentane-2,4-diimine?
2-N,4-N-dimethyl-3-[3-(propan-2-ylideneamino)propyl]pentane-2,4-diimine has a molecular weight of 223.36 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-3-[3-(propan-2-ylideneamino)propyl]pentane-2,4-diimine is sourced from PubChem (CID 123867907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).