(E)-4-methylhex-3-en-3-amine

C7H15N — CID 129020883

IUPAC(E)-4-methylhex-3-en-3-amine
SMILESCC/C(C)=C(/N)CC
InChIInChI=1S/C7H15N/c1-4-6(3)7(8)5-2/h4-5,8H2,1-3H3/b7-6+
InChIKeyUSLCROQVJAZFJE-VOTSOKGWSA-N
MW113.20 g/mol
LogP2.04
Rot. Bonds2

About (E)-4-methylhex-3-en-3-amine

(E)-4-methylhex-3-en-3-amine (PubChem CID 129020883) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is (E)-4-methylhex-3-en-3-amine.

Molecular Properties

Compound Name(E)-4-methylhex-3-en-3-amine
PubChem CID129020883
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name(E)-4-methylhex-3-en-3-amine
SMILESCC/C(C)=C(/N)CC
InChIInChI=1S/C7H15N/c1-4-6(3)7(8)5-2/h4-5,8H2,1-3H3/b7-6+
InChIKeyUSLCROQVJAZFJE-VOTSOKGWSA-N
XLogP2.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-4-methylhex-3-en-3-amine?
The IUPAC name of (E)-4-methylhex-3-en-3-amine (CID 129020883) is (E)-4-methylhex-3-en-3-amine.
What is the SMILES notation for (E)-4-methylhex-3-en-3-amine?
The canonical SMILES for (E)-4-methylhex-3-en-3-amine is CC/C(C)=C(/N)CC.
What is the InChIKey of (E)-4-methylhex-3-en-3-amine?
The InChIKey is USLCROQVJAZFJE-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H15N/c1-4-6(3)7(8)5-2/h4-5,8H2,1-3H3/b7-6+.
What are the key properties of (E)-4-methylhex-3-en-3-amine?
(E)-4-methylhex-3-en-3-amine has a molecular weight of 113.20 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methylhex-3-en-3-amine is sourced from PubChem (CID 129020883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).