N-butyl-N-(3-methylbut-2-enylideneamino)butan-1-amine

C13H26N2 — CID 597627

IUPACN-butyl-N-(3-methylbut-2-enylideneamino)butan-1-amine
SMILESCCCCN(CCCC)N=CC=C(C)C
InChIInChI=1S/C13H26N2/c1-5-7-11-15(12-8-6-2)14-10-9-13(3)4/h9-10H,5-8,11-12H2,1-4H3
InChIKeyYRNUSWNJDPYSFU-UHFFFAOYSA-N
MW210.37 g/mol
LogP3.84
Rot. Bonds8

About N-butyl-N-(3-methylbut-2-enylideneamino)butan-1-amine

N-butyl-N-(3-methylbut-2-enylideneamino)butan-1-amine (PubChem CID 597627) has the molecular formula C13H26N2 and a molecular weight of 210.37 g/mol. Its IUPAC name is N-butyl-N-(3-methylbut-2-enylideneamino)butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-(3-methylbut-2-enylideneamino)butan-1-amine
PubChem CID597627
Molecular FormulaC13H26N2
Molecular Weight210.37 g/mol
Exact Mass210.21
IUPAC NameN-butyl-N-(3-methylbut-2-enylideneamino)butan-1-amine
SMILESCCCCN(CCCC)N=CC=C(C)C
InChIInChI=1S/C13H26N2/c1-5-7-11-15(12-8-6-2)14-10-9-13(3)4/h9-10H,5-8,11-12H2,1-4H3
InChIKeyYRNUSWNJDPYSFU-UHFFFAOYSA-N
XLogP3.84
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 53.84
H-Bond Donors ≤ 50
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-butyl-N-(3-methylbut-2-enylideneamino)butan-1-amine?
The IUPAC name of N-butyl-N-(3-methylbut-2-enylideneamino)butan-1-amine (CID 597627) is N-butyl-N-(3-methylbut-2-enylideneamino)butan-1-amine.
What is the SMILES notation for N-butyl-N-(3-methylbut-2-enylideneamino)butan-1-amine?
The canonical SMILES for N-butyl-N-(3-methylbut-2-enylideneamino)butan-1-amine is CCCCN(CCCC)N=CC=C(C)C.
What is the InChIKey of N-butyl-N-(3-methylbut-2-enylideneamino)butan-1-amine?
The InChIKey is YRNUSWNJDPYSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-5-7-11-15(12-8-6-2)14-10-9-13(3)4/h9-10H,5-8,11-12H2,1-4H3.
What are the key properties of N-butyl-N-(3-methylbut-2-enylideneamino)butan-1-amine?
N-butyl-N-(3-methylbut-2-enylideneamino)butan-1-amine has a molecular weight of 210.37 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(3-methylbut-2-enylideneamino)butan-1-amine is sourced from PubChem (CID 597627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).