(E)-N-butan-2-yl-N,3-dimethylhex-2-en-2-amine

C12H25N — CID 129237962

IUPAC(E)-N-butan-2-yl-N,3-dimethylhex-2-en-2-amine
SMILESCCC/C(C)=C(\C)N(C)C(C)CC
InChIInChI=1S/C12H25N/c1-7-9-10(3)12(5)13(6)11(4)8-2/h11H,7-9H2,1-6H3/b12-10+
InChIKeyLYBHAIBEDILJRU-ZRDIBKRKSA-N
MW183.34 g/mol
LogP3.81
Rot. Bonds5

About (E)-N-butan-2-yl-N,3-dimethylhex-2-en-2-amine

(E)-N-butan-2-yl-N,3-dimethylhex-2-en-2-amine (PubChem CID 129237962) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (E)-N-butan-2-yl-N,3-dimethylhex-2-en-2-amine.

Molecular Properties

Compound Name(E)-N-butan-2-yl-N,3-dimethylhex-2-en-2-amine
PubChem CID129237962
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(E)-N-butan-2-yl-N,3-dimethylhex-2-en-2-amine
SMILESCCC/C(C)=C(\C)N(C)C(C)CC
InChIInChI=1S/C12H25N/c1-7-9-10(3)12(5)13(6)11(4)8-2/h11H,7-9H2,1-6H3/b12-10+
InChIKeyLYBHAIBEDILJRU-ZRDIBKRKSA-N
XLogP3.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N-butan-2-yl-N,3-dimethylhex-2-en-2-amine?
The IUPAC name of (E)-N-butan-2-yl-N,3-dimethylhex-2-en-2-amine (CID 129237962) is (E)-N-butan-2-yl-N,3-dimethylhex-2-en-2-amine.
What is the SMILES notation for (E)-N-butan-2-yl-N,3-dimethylhex-2-en-2-amine?
The canonical SMILES for (E)-N-butan-2-yl-N,3-dimethylhex-2-en-2-amine is CCC/C(C)=C(\C)N(C)C(C)CC.
What is the InChIKey of (E)-N-butan-2-yl-N,3-dimethylhex-2-en-2-amine?
The InChIKey is LYBHAIBEDILJRU-ZRDIBKRKSA-N. The full InChI is InChI=1S/C12H25N/c1-7-9-10(3)12(5)13(6)11(4)8-2/h11H,7-9H2,1-6H3/b12-10+.
What are the key properties of (E)-N-butan-2-yl-N,3-dimethylhex-2-en-2-amine?
(E)-N-butan-2-yl-N,3-dimethylhex-2-en-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butan-2-yl-N,3-dimethylhex-2-en-2-amine is sourced from PubChem (CID 129237962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).