(E)-N,N-bis(2-methylpropyl)but-1-en-1-amine

C12H25N — CID 86714715

IUPAC(E)-N,N-bis(2-methylpropyl)but-1-en-1-amine
SMILESCC/C=C/N(CC(C)C)CC(C)C
InChIInChI=1S/C12H25N/c1-6-7-8-13(9-11(2)3)10-12(4)5/h7-8,11-12H,6,9-10H2,1-5H3/b8-7+
InChIKeyCFXVYUTXMBQOBF-BQYQJAHWSA-N
MW183.34 g/mol
LogP3.52
Rot. Bonds6

About (E)-N,N-bis(2-methylpropyl)but-1-en-1-amine

(E)-N,N-bis(2-methylpropyl)but-1-en-1-amine (PubChem CID 86714715) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (E)-N,N-bis(2-methylpropyl)but-1-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-bis(2-methylpropyl)but-1-en-1-amine
PubChem CID86714715
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(E)-N,N-bis(2-methylpropyl)but-1-en-1-amine
SMILESCC/C=C/N(CC(C)C)CC(C)C
InChIInChI=1S/C12H25N/c1-6-7-8-13(9-11(2)3)10-12(4)5/h7-8,11-12H,6,9-10H2,1-5H3/b8-7+
InChIKeyCFXVYUTXMBQOBF-BQYQJAHWSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-bis(2-methylpropyl)but-1-en-1-amine?
The IUPAC name of (E)-N,N-bis(2-methylpropyl)but-1-en-1-amine (CID 86714715) is (E)-N,N-bis(2-methylpropyl)but-1-en-1-amine.
What is the SMILES notation for (E)-N,N-bis(2-methylpropyl)but-1-en-1-amine?
The canonical SMILES for (E)-N,N-bis(2-methylpropyl)but-1-en-1-amine is CC/C=C/N(CC(C)C)CC(C)C.
What is the InChIKey of (E)-N,N-bis(2-methylpropyl)but-1-en-1-amine?
The InChIKey is CFXVYUTXMBQOBF-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H25N/c1-6-7-8-13(9-11(2)3)10-12(4)5/h7-8,11-12H,6,9-10H2,1-5H3/b8-7+.
What are the key properties of (E)-N,N-bis(2-methylpropyl)but-1-en-1-amine?
(E)-N,N-bis(2-methylpropyl)but-1-en-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-bis(2-methylpropyl)but-1-en-1-amine is sourced from PubChem (CID 86714715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).