(Z)-hex-3-en-3-amine

C6H13N — CID 18331654

IUPAC(Z)-hex-3-en-3-amine
SMILESCC/C=C(\N)CC
InChIInChI=1S/C6H13N/c1-3-5-6(7)4-2/h5H,3-4,7H2,1-2H3/b6-5-
InChIKeyLTPOIISJTLIQOV-WAYWQWQTSA-N
MW99.18 g/mol
LogP1.65
Rot. Bonds2

About (Z)-hex-3-en-3-amine

(Z)-hex-3-en-3-amine (PubChem CID 18331654) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is (Z)-hex-3-en-3-amine.

Molecular Properties

Compound Name(Z)-hex-3-en-3-amine
PubChem CID18331654
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name(Z)-hex-3-en-3-amine
SMILESCC/C=C(\N)CC
InChIInChI=1S/C6H13N/c1-3-5-6(7)4-2/h5H,3-4,7H2,1-2H3/b6-5-
InChIKeyLTPOIISJTLIQOV-WAYWQWQTSA-N
XLogP1.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-hex-3-en-3-amine?
The IUPAC name of (Z)-hex-3-en-3-amine (CID 18331654) is (Z)-hex-3-en-3-amine.
What is the SMILES notation for (Z)-hex-3-en-3-amine?
The canonical SMILES for (Z)-hex-3-en-3-amine is CC/C=C(\N)CC.
What is the InChIKey of (Z)-hex-3-en-3-amine?
The InChIKey is LTPOIISJTLIQOV-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H13N/c1-3-5-6(7)4-2/h5H,3-4,7H2,1-2H3/b6-5-.
What are the key properties of (Z)-hex-3-en-3-amine?
(Z)-hex-3-en-3-amine has a molecular weight of 99.18 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hex-3-en-3-amine is sourced from PubChem (CID 18331654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).