N-butan-2-yl-4-butyliminopent-2-en-2-amine

C13H26N2 — CID 150109771

IUPACN-butan-2-yl-4-butyliminopent-2-en-2-amine
SMILESCCCC/N=C(\C)C=C(C)NC(C)CC
InChIInChI=1S/C13H26N2/c1-6-8-9-14-12(4)10-13(5)15-11(3)7-2/h10-11,15H,6-9H2,1-5H3/b13-10?,14-12+
InChIKeyLERLNYOVCMLTRS-PKMYRNFXSA-N
MW210.36 g/mol
LogP3.54
Rot. Bonds7

About N-butan-2-yl-4-butyliminopent-2-en-2-amine

N-butan-2-yl-4-butyliminopent-2-en-2-amine (PubChem CID 150109771) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-butan-2-yl-4-butyliminopent-2-en-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-4-butyliminopent-2-en-2-amine
PubChem CID150109771
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-butan-2-yl-4-butyliminopent-2-en-2-amine
SMILESCCCC/N=C(\C)C=C(C)NC(C)CC
InChIInChI=1S/C13H26N2/c1-6-8-9-14-12(4)10-13(5)15-11(3)7-2/h10-11,15H,6-9H2,1-5H3/b13-10?,14-12+
InChIKeyLERLNYOVCMLTRS-PKMYRNFXSA-N
XLogP3.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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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Related Compounds

(4E)-N-(Propan-2-yl)-4-[(propan-2-yl)imino]pent-2-en-2-amine
CID 71353734
4-N-(2,3-dihydropyridin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 44581277
(E)-N-isopropyl-7-(isopropylimino)cyclohepta-1,3,5-trienamine
CID 777099
2,4,9,11-Tetramethyl-1,5,8,12-tetraazacyclotetradeca-1,3,9,11-tetraene
CID 10890274
2-(Methylamino)-4-(methylimino)-pentene-2
CID 14983634
(Z)-N-ethyl-4-ethyliminopent-2-en-2-amine
CID 22857106
N-[(Z)-4-cyclohexyliminopent-2-en-2-yl]cyclohexanamine
CID 23578229
(Z)-N-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine
CID 49804015
N-Methyl-4-(methylimino)-2-penten-2-amine
CID 72320248
(Z)-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 102023638
(Z)-N-propyl-4-propyliminopent-2-en-2-amine
CID 102026407
(Z)-1,7-difluoro-N-propyl-5-propyliminohept-3-en-3-amine
CID 156290789

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-butyliminopent-2-en-2-amine?
The IUPAC name of N-butan-2-yl-4-butyliminopent-2-en-2-amine (CID 150109771) is N-butan-2-yl-4-butyliminopent-2-en-2-amine.
What is the SMILES notation for N-butan-2-yl-4-butyliminopent-2-en-2-amine?
The canonical SMILES for N-butan-2-yl-4-butyliminopent-2-en-2-amine is CCCC/N=C(\C)C=C(C)NC(C)CC.
What is the InChIKey of N-butan-2-yl-4-butyliminopent-2-en-2-amine?
The InChIKey is LERLNYOVCMLTRS-PKMYRNFXSA-N. The full InChI is InChI=1S/C13H26N2/c1-6-8-9-14-12(4)10-13(5)15-11(3)7-2/h10-11,15H,6-9H2,1-5H3/b13-10?,14-12+.
What are the key properties of N-butan-2-yl-4-butyliminopent-2-en-2-amine?
N-butan-2-yl-4-butyliminopent-2-en-2-amine has a molecular weight of 210.36 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-butyliminopent-2-en-2-amine is sourced from PubChem (CID 150109771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).