N-butan-2-yl-5-butyliminopent-2-en-2-amine

C13H26N2 — CID 173067617

IUPACN-butan-2-yl-5-butyliminopent-2-en-2-amine
SMILESCCCC/N=C/CC=C(C)NC(C)CC
InChIInChI=1S/C13H26N2/c1-5-7-10-14-11-8-9-13(4)15-12(3)6-2/h9,11-12,15H,5-8,10H2,1-4H3/b13-9?,14-11+
InChIKeyBXAZSJQESZFBNY-ZNNSLDMCSA-N
MW210.36 g/mol
LogP3.54
Rot. Bonds8

About N-butan-2-yl-5-butyliminopent-2-en-2-amine

N-butan-2-yl-5-butyliminopent-2-en-2-amine (PubChem CID 173067617) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-butan-2-yl-5-butyliminopent-2-en-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-butyliminopent-2-en-2-amine
PubChem CID173067617
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-butan-2-yl-5-butyliminopent-2-en-2-amine
SMILESCCCC/N=C/CC=C(C)NC(C)CC
InChIInChI=1S/C13H26N2/c1-5-7-10-14-11-8-9-13(4)15-12(3)6-2/h9,11-12,15H,5-8,10H2,1-4H3/b13-9?,14-11+
InChIKeyBXAZSJQESZFBNY-ZNNSLDMCSA-N
XLogP3.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.54
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'}

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-butyliminopent-2-en-2-amine?
The IUPAC name of N-butan-2-yl-5-butyliminopent-2-en-2-amine (CID 173067617) is N-butan-2-yl-5-butyliminopent-2-en-2-amine.
What is the SMILES notation for N-butan-2-yl-5-butyliminopent-2-en-2-amine?
The canonical SMILES for N-butan-2-yl-5-butyliminopent-2-en-2-amine is CCCC/N=C/CC=C(C)NC(C)CC.
What is the InChIKey of N-butan-2-yl-5-butyliminopent-2-en-2-amine?
The InChIKey is BXAZSJQESZFBNY-ZNNSLDMCSA-N. The full InChI is InChI=1S/C13H26N2/c1-5-7-10-14-11-8-9-13(4)15-12(3)6-2/h9,11-12,15H,5-8,10H2,1-4H3/b13-9?,14-11+.
What are the key properties of N-butan-2-yl-5-butyliminopent-2-en-2-amine?
N-butan-2-yl-5-butyliminopent-2-en-2-amine has a molecular weight of 210.36 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-butyliminopent-2-en-2-amine is sourced from PubChem (CID 173067617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).