N-(methylideneamino)pentan-3-imine

C6H12N2 — CID 123972689

IUPACN-(methylideneamino)pentan-3-imine
SMILESC=NN=C(CC)CC
InChIInChI=1S/C6H12N2/c1-4-6(5-2)8-7-3/h3-5H2,1-2H3
InChIKeyUSOYIOQARRLQTH-UHFFFAOYSA-N
MW112.18 g/mol
LogP1.86
Rot. Bonds3

About N-(methylideneamino)pentan-3-imine

N-(methylideneamino)pentan-3-imine (PubChem CID 123972689) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N-(methylideneamino)pentan-3-imine.

Molecular Properties

Compound NameN-(methylideneamino)pentan-3-imine
PubChem CID123972689
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN-(methylideneamino)pentan-3-imine
SMILESC=NN=C(CC)CC
InChIInChI=1S/C6H12N2/c1-4-6(5-2)8-7-3/h3-5H2,1-2H3
InChIKeyUSOYIOQARRLQTH-UHFFFAOYSA-N
XLogP1.86
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(methylideneamino)non-6-yn-3-imine
CID 123298321
(2E,4E)-2,4-bis(methylidenehydrazinylidene)hexane-1,3-diamine
CID 134505108
(Z,E)-3-ethyl-N-(methylideneamino)hex-3-en-2-imine
CID 123457704
(E)-N-[(E)-heptan-3-ylideneamino]heptan-3-imine
CID 6392818
ethyl (1Z)-N-methylidene-1-methyliodanuidylmethanehydrazonate
CID 172916491
2-methyl-N-(2-methylpentan-3-ylideneamino)pentan-3-imine
CID 131880639
N-methylpentan-3-imine;N-pentan-3-ylidenehydroxylamine
CID 159028585
ethene;propanoic acid
CID 158726825
N-prop-2-enoxypentan-3-imine
CID 174974673
(E)-1-(3,5-diethylphenyl)-N-(methylideneamino)ethanimine
CID 172930301
N-ethylmethanimine
CID 535674
(NZ)-N-butan-2-ylidenehydroxylamine;N-pentan-3-ylidenehydroxylamine
CID 172954644

Frequently Asked Questions

What is the IUPAC name of N-(methylideneamino)pentan-3-imine?
The IUPAC name of N-(methylideneamino)pentan-3-imine (CID 123972689) is N-(methylideneamino)pentan-3-imine.
What is the SMILES notation for N-(methylideneamino)pentan-3-imine?
The canonical SMILES for N-(methylideneamino)pentan-3-imine is C=NN=C(CC)CC.
What is the InChIKey of N-(methylideneamino)pentan-3-imine?
The InChIKey is USOYIOQARRLQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-6(5-2)8-7-3/h3-5H2,1-2H3.
What are the key properties of N-(methylideneamino)pentan-3-imine?
N-(methylideneamino)pentan-3-imine has a molecular weight of 112.18 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylideneamino)pentan-3-imine is sourced from PubChem (CID 123972689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).