(E)-N-ethyl-N,4-dimethylhex-3-en-3-amine;propane

C13H29N — CID 142411665

IUPAC(E)-N-ethyl-N,4-dimethylhex-3-en-3-amine;propane
SMILESCC/C(C)=C(\CC)N(C)CC.CCC
InChIInChI=1S/C10H21N.C3H8/c1-6-9(4)10(7-2)11(5)8-3;1-3-2/h6-8H2,1-5H3;3H2,1-2H3/b10-9+;
InChIKeyZEXQPXUZZAPJGM-RRABGKBLSA-N
MW199.38 g/mol
LogP4.45
Rot. Bonds4

About (E)-N-ethyl-N,4-dimethylhex-3-en-3-amine;propane

(E)-N-ethyl-N,4-dimethylhex-3-en-3-amine;propane (PubChem CID 142411665) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is (E)-N-ethyl-N,4-dimethylhex-3-en-3-amine;propane.

Molecular Properties

Compound Name(E)-N-ethyl-N,4-dimethylhex-3-en-3-amine;propane
PubChem CID142411665
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name(E)-N-ethyl-N,4-dimethylhex-3-en-3-amine;propane
SMILESCC/C(C)=C(\CC)N(C)CC.CCC
InChIInChI=1S/C10H21N.C3H8/c1-6-9(4)10(7-2)11(5)8-3;1-3-2/h6-8H2,1-5H3;3H2,1-2H3/b10-9+;
InChIKeyZEXQPXUZZAPJGM-RRABGKBLSA-N
XLogP4.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-N,4-dimethylhex-3-en-3-amine;propane?
The IUPAC name of (E)-N-ethyl-N,4-dimethylhex-3-en-3-amine;propane (CID 142411665) is (E)-N-ethyl-N,4-dimethylhex-3-en-3-amine;propane.
What is the SMILES notation for (E)-N-ethyl-N,4-dimethylhex-3-en-3-amine;propane?
The canonical SMILES for (E)-N-ethyl-N,4-dimethylhex-3-en-3-amine;propane is CC/C(C)=C(\CC)N(C)CC.CCC.
What is the InChIKey of (E)-N-ethyl-N,4-dimethylhex-3-en-3-amine;propane?
The InChIKey is ZEXQPXUZZAPJGM-RRABGKBLSA-N. The full InChI is InChI=1S/C10H21N.C3H8/c1-6-9(4)10(7-2)11(5)8-3;1-3-2/h6-8H2,1-5H3;3H2,1-2H3/b10-9+;.
What are the key properties of (E)-N-ethyl-N,4-dimethylhex-3-en-3-amine;propane?
(E)-N-ethyl-N,4-dimethylhex-3-en-3-amine;propane has a molecular weight of 199.38 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-N,4-dimethylhex-3-en-3-amine;propane is sourced from PubChem (CID 142411665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).