N-(pentan-3-ylideneamino)methanamine

C6H14N2 — CID 14415619

IUPACN-(pentan-3-ylideneamino)methanamine
SMILESCCC(CC)=NNC
InChIInChI=1S/C6H14N2/c1-4-6(5-2)8-7-3/h7H,4-5H2,1-3H3
InChIKeyKOWWJEHTOYGQGK-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.38
Rot. Bonds3

About N-(pentan-3-ylideneamino)methanamine

N-(pentan-3-ylideneamino)methanamine (PubChem CID 14415619) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is N-(pentan-3-ylideneamino)methanamine.

Molecular Properties

Compound NameN-(pentan-3-ylideneamino)methanamine
PubChem CID14415619
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC NameN-(pentan-3-ylideneamino)methanamine
SMILESCCC(CC)=NNC
InChIInChI=1S/C6H14N2/c1-4-6(5-2)8-7-3/h7H,4-5H2,1-3H3
InChIKeyKOWWJEHTOYGQGK-UHFFFAOYSA-N
XLogP1.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.38
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-(pentan-3-ylideneamino)methanamine?
The IUPAC name of N-(pentan-3-ylideneamino)methanamine (CID 14415619) is N-(pentan-3-ylideneamino)methanamine.
What is the SMILES notation for N-(pentan-3-ylideneamino)methanamine?
The canonical SMILES for N-(pentan-3-ylideneamino)methanamine is CCC(CC)=NNC.
What is the InChIKey of N-(pentan-3-ylideneamino)methanamine?
The InChIKey is KOWWJEHTOYGQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-4-6(5-2)8-7-3/h7H,4-5H2,1-3H3.
What are the key properties of N-(pentan-3-ylideneamino)methanamine?
N-(pentan-3-ylideneamino)methanamine has a molecular weight of 114.19 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pentan-3-ylideneamino)methanamine is sourced from PubChem (CID 14415619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).