N-(ethylideneamino)butan-1-amine

C6H14N2 — CID 551171

IUPACN-(ethylideneamino)butan-1-amine
SMILESCC=NNCCCC
InChIInChI=1S/C6H14N2/c1-3-5-6-8-7-4-2/h4,8H,3,5-6H2,1-2H3
InChIKeyCGCWYQXCVFERRJ-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.38
Rot. Bonds4

About N-(ethylideneamino)butan-1-amine

N-(ethylideneamino)butan-1-amine (PubChem CID 551171) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is N-(ethylideneamino)butan-1-amine.

Molecular Properties

Compound NameN-(ethylideneamino)butan-1-amine
PubChem CID551171
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC NameN-(ethylideneamino)butan-1-amine
SMILESCC=NNCCCC
InChIInChI=1S/C6H14N2/c1-3-5-6-8-7-4-2/h4,8H,3,5-6H2,1-2H3
InChIKeyCGCWYQXCVFERRJ-UHFFFAOYSA-N
XLogP1.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(ethylideneamino)butan-1-amine?
The IUPAC name of N-(ethylideneamino)butan-1-amine (CID 551171) is N-(ethylideneamino)butan-1-amine.
What is the SMILES notation for N-(ethylideneamino)butan-1-amine?
The canonical SMILES for N-(ethylideneamino)butan-1-amine is CC=NNCCCC.
What is the InChIKey of N-(ethylideneamino)butan-1-amine?
The InChIKey is CGCWYQXCVFERRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-3-5-6-8-7-4-2/h4,8H,3,5-6H2,1-2H3.
What are the key properties of N-(ethylideneamino)butan-1-amine?
N-(ethylideneamino)butan-1-amine has a molecular weight of 114.19 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylideneamino)butan-1-amine is sourced from PubChem (CID 551171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).