(E)-N-ethyl-N,4-dimethyl-2-propan-2-ylhex-1-en-1-amine

C13H27N — CID 154980238

IUPAC(E)-N-ethyl-N,4-dimethyl-2-propan-2-ylhex-1-en-1-amine
SMILESCCC(C)C/C(=C\N(C)CC)C(C)C
InChIInChI=1S/C13H27N/c1-7-12(5)9-13(11(3)4)10-14(6)8-2/h10-12H,7-9H2,1-6H3/b13-10+
InChIKeyRZVBHWWSMWSLMX-JLHYYAGUSA-N
MW197.37 g/mol
LogP3.91
Rot. Bonds6

About (E)-N-ethyl-N,4-dimethyl-2-propan-2-ylhex-1-en-1-amine

(E)-N-ethyl-N,4-dimethyl-2-propan-2-ylhex-1-en-1-amine (PubChem CID 154980238) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is (E)-N-ethyl-N,4-dimethyl-2-propan-2-ylhex-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethyl-N,4-dimethyl-2-propan-2-ylhex-1-en-1-amine
PubChem CID154980238
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name(E)-N-ethyl-N,4-dimethyl-2-propan-2-ylhex-1-en-1-amine
SMILESCCC(C)C/C(=C\N(C)CC)C(C)C
InChIInChI=1S/C13H27N/c1-7-12(5)9-13(11(3)4)10-14(6)8-2/h10-12H,7-9H2,1-6H3/b13-10+
InChIKeyRZVBHWWSMWSLMX-JLHYYAGUSA-N
XLogP3.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.91
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-dimethyl-2-propan-2-ylhex-1-en-1-amine?
The IUPAC name of (E)-N-ethyl-N,4-dimethyl-2-propan-2-ylhex-1-en-1-amine (CID 154980238) is (E)-N-ethyl-N,4-dimethyl-2-propan-2-ylhex-1-en-1-amine.
What is the SMILES notation for (E)-N-ethyl-N,4-dimethyl-2-propan-2-ylhex-1-en-1-amine?
The canonical SMILES for (E)-N-ethyl-N,4-dimethyl-2-propan-2-ylhex-1-en-1-amine is CCC(C)C/C(=C\N(C)CC)C(C)C.
What is the InChIKey of (E)-N-ethyl-N,4-dimethyl-2-propan-2-ylhex-1-en-1-amine?
The InChIKey is RZVBHWWSMWSLMX-JLHYYAGUSA-N. The full InChI is InChI=1S/C13H27N/c1-7-12(5)9-13(11(3)4)10-14(6)8-2/h10-12H,7-9H2,1-6H3/b13-10+.
What are the key properties of (E)-N-ethyl-N,4-dimethyl-2-propan-2-ylhex-1-en-1-amine?
(E)-N-ethyl-N,4-dimethyl-2-propan-2-ylhex-1-en-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.91, 6 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-dimethyl-2-propan-2-ylhex-1-en-1-amine is sourced from PubChem (CID 154980238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).