N-[4-(methylideneamino)pentan-2-yl]methanimine

C7H14N2 — CID 20761828

IUPACN-[4-(methylideneamino)pentan-2-yl]methanimine
SMILESC=NC(C)CC(C)N=C
InChIInChI=1S/C7H14N2/c1-6(8-3)5-7(2)9-4/h6-7H,3-5H2,1-2H3
InChIKeyHEDWTQJQTDLTDO-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.55
Rot. Bonds4

About N-[4-(methylideneamino)pentan-2-yl]methanimine

N-[4-(methylideneamino)pentan-2-yl]methanimine (PubChem CID 20761828) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-[4-(methylideneamino)pentan-2-yl]methanimine.

Molecular Properties

Compound NameN-[4-(methylideneamino)pentan-2-yl]methanimine
PubChem CID20761828
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-[4-(methylideneamino)pentan-2-yl]methanimine
SMILESC=NC(C)CC(C)N=C
InChIInChI=1S/C7H14N2/c1-6(8-3)5-7(2)9-4/h6-7H,3-5H2,1-2H3
InChIKeyHEDWTQJQTDLTDO-UHFFFAOYSA-N
XLogP1.55
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methylideneamino)pentan-2-yl]methanimine?
The IUPAC name of N-[4-(methylideneamino)pentan-2-yl]methanimine (CID 20761828) is N-[4-(methylideneamino)pentan-2-yl]methanimine.
What is the SMILES notation for N-[4-(methylideneamino)pentan-2-yl]methanimine?
The canonical SMILES for N-[4-(methylideneamino)pentan-2-yl]methanimine is C=NC(C)CC(C)N=C.
What is the InChIKey of N-[4-(methylideneamino)pentan-2-yl]methanimine?
The InChIKey is HEDWTQJQTDLTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(8-3)5-7(2)9-4/h6-7H,3-5H2,1-2H3.
What are the key properties of N-[4-(methylideneamino)pentan-2-yl]methanimine?
N-[4-(methylideneamino)pentan-2-yl]methanimine has a molecular weight of 126.20 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylideneamino)pentan-2-yl]methanimine is sourced from PubChem (CID 20761828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).