(E)-N,N-dibutyl-3-methylbut-1-en-1-amine

C13H27N — CID 15727622

IUPAC(E)-N,N-dibutyl-3-methylbut-1-en-1-amine
SMILESCCCCN(/C=C/C(C)C)CCCC
InChIInChI=1S/C13H27N/c1-5-7-10-14(11-8-6-2)12-9-13(3)4/h9,12-13H,5-8,10-11H2,1-4H3/b12-9+
InChIKeySLMBUAHLPRUZJC-FMIVXFBMSA-N
MW197.37 g/mol
LogP4.06
Rot. Bonds8

About (E)-N,N-dibutyl-3-methylbut-1-en-1-amine

(E)-N,N-dibutyl-3-methylbut-1-en-1-amine (PubChem CID 15727622) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is (E)-N,N-dibutyl-3-methylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dibutyl-3-methylbut-1-en-1-amine
PubChem CID15727622
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name(E)-N,N-dibutyl-3-methylbut-1-en-1-amine
SMILESCCCCN(/C=C/C(C)C)CCCC
InChIInChI=1S/C13H27N/c1-5-7-10-14(11-8-6-2)12-9-13(3)4/h9,12-13H,5-8,10-11H2,1-4H3/b12-9+
InChIKeySLMBUAHLPRUZJC-FMIVXFBMSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dibutyl-3-methylbut-1-en-1-amine?
The IUPAC name of (E)-N,N-dibutyl-3-methylbut-1-en-1-amine (CID 15727622) is (E)-N,N-dibutyl-3-methylbut-1-en-1-amine.
What is the SMILES notation for (E)-N,N-dibutyl-3-methylbut-1-en-1-amine?
The canonical SMILES for (E)-N,N-dibutyl-3-methylbut-1-en-1-amine is CCCCN(/C=C/C(C)C)CCCC.
What is the InChIKey of (E)-N,N-dibutyl-3-methylbut-1-en-1-amine?
The InChIKey is SLMBUAHLPRUZJC-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H27N/c1-5-7-10-14(11-8-6-2)12-9-13(3)4/h9,12-13H,5-8,10-11H2,1-4H3/b12-9+.
What are the key properties of (E)-N,N-dibutyl-3-methylbut-1-en-1-amine?
(E)-N,N-dibutyl-3-methylbut-1-en-1-amine has a molecular weight of 197.37 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dibutyl-3-methylbut-1-en-1-amine is sourced from PubChem (CID 15727622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).