N-pentan-3-ylmethanimine

C6H13N — CID 123798612

IUPACN-pentan-3-ylmethanimine
SMILESC=NC(CC)CC
InChIInChI=1S/C6H13N/c1-4-6(5-2)7-3/h6H,3-5H2,1-2H3
InChIKeyJQGTUBOVBYKKQQ-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.88
Rot. Bonds3

About N-pentan-3-ylmethanimine

N-pentan-3-ylmethanimine (PubChem CID 123798612) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is N-pentan-3-ylmethanimine.

Molecular Properties

Compound NameN-pentan-3-ylmethanimine
PubChem CID123798612
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC NameN-pentan-3-ylmethanimine
SMILESC=NC(CC)CC
InChIInChI=1S/C6H13N/c1-4-6(5-2)7-3/h6H,3-5H2,1-2H3
InChIKeyJQGTUBOVBYKKQQ-UHFFFAOYSA-N
XLogP1.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-pentan-3-ylmethanimine?
The IUPAC name of N-pentan-3-ylmethanimine (CID 123798612) is N-pentan-3-ylmethanimine.
What is the SMILES notation for N-pentan-3-ylmethanimine?
The canonical SMILES for N-pentan-3-ylmethanimine is C=NC(CC)CC.
What is the InChIKey of N-pentan-3-ylmethanimine?
The InChIKey is JQGTUBOVBYKKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-4-6(5-2)7-3/h6H,3-5H2,1-2H3.
What are the key properties of N-pentan-3-ylmethanimine?
N-pentan-3-ylmethanimine has a molecular weight of 99.18 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-ylmethanimine is sourced from PubChem (CID 123798612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).