N-[2-methyl-3-(methylideneamino)prop-1-enyl]propan-2-imine

C8H14N2 — CID 91194603

IUPACN-[2-methyl-3-(methylideneamino)prop-1-enyl]propan-2-imine
SMILESC=NCC(C)=CN=C(C)C
InChIInChI=1S/C8H14N2/c1-7(2)10-6-8(3)5-9-4/h6H,4-5H2,1-3H3
InChIKeyVAKDVTGYEOIHSP-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.07
Rot. Bonds3

About N-[2-methyl-3-(methylideneamino)prop-1-enyl]propan-2-imine

N-[2-methyl-3-(methylideneamino)prop-1-enyl]propan-2-imine (PubChem CID 91194603) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-[2-methyl-3-(methylideneamino)prop-1-enyl]propan-2-imine.

Molecular Properties

Compound NameN-[2-methyl-3-(methylideneamino)prop-1-enyl]propan-2-imine
PubChem CID91194603
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-[2-methyl-3-(methylideneamino)prop-1-enyl]propan-2-imine
SMILESC=NCC(C)=CN=C(C)C
InChIInChI=1S/C8H14N2/c1-7(2)10-6-8(3)5-9-4/h6H,4-5H2,1-3H3
InChIKeyVAKDVTGYEOIHSP-UHFFFAOYSA-N
XLogP2.07
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-N-(1-methylethylidene)-1-propen-1-amine
CID 20436138
3-N-(2-methylprop-1-enyl)butane-2,3-diimine
CID 89671915
N-(2-methylprop-1-enyl)butan-2-imine
CID 90916248
N-(2-methylbut-1-enyl)propan-2-imine
CID 91106736
6-methyl-5H-1,4-diazepine
CID 91406936
ethane;N-(2-methylprop-1-enyl)propan-2-imine
CID 141894147
N-[(Z)-2-methylbut-1-enyl]propan-2-imine
CID 141915174
N-methyl-N'-(2-methylprop-1-enyl)ethane-1,2-diimine
CID 142167499
ethane;N-(2-methylprop-1-enyl)propan-2-imine
CID 143125109
ethane;N-[2-methyl-3-(methylideneamino)prop-2-enyl]methanimine
CID 143379778
ethane;6-methyl-5H-1,4-diazepine
CID 144574740
1-N-methyl-2-N-(2-methylprop-2-enyl)propane-1,2-diimine
CID 163826376

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(methylideneamino)prop-1-enyl]propan-2-imine?
The IUPAC name of N-[2-methyl-3-(methylideneamino)prop-1-enyl]propan-2-imine (CID 91194603) is N-[2-methyl-3-(methylideneamino)prop-1-enyl]propan-2-imine.
What is the SMILES notation for N-[2-methyl-3-(methylideneamino)prop-1-enyl]propan-2-imine?
The canonical SMILES for N-[2-methyl-3-(methylideneamino)prop-1-enyl]propan-2-imine is C=NCC(C)=CN=C(C)C.
What is the InChIKey of N-[2-methyl-3-(methylideneamino)prop-1-enyl]propan-2-imine?
The InChIKey is VAKDVTGYEOIHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(2)10-6-8(3)5-9-4/h6H,4-5H2,1-3H3.
What are the key properties of N-[2-methyl-3-(methylideneamino)prop-1-enyl]propan-2-imine?
N-[2-methyl-3-(methylideneamino)prop-1-enyl]propan-2-imine has a molecular weight of 138.21 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(methylideneamino)prop-1-enyl]propan-2-imine is sourced from PubChem (CID 91194603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).