(E,3R)-hex-4-en-3-amine

C6H13N — CID 11788266

IUPAC(E,3R)-hex-4-en-3-amine
SMILESC/C=C/[C@H](N)CC
InChIInChI=1S/C6H13N/c1-3-5-6(7)4-2/h3,5-6H,4,7H2,1-2H3/b5-3+/t6-/m1/s1
InChIKeyBQDADOHFJBDCDD-MXTDHUQFSA-N
MW99.18 g/mol
LogP1.30
Rot. Bonds2

About (E,3R)-hex-4-en-3-amine

(E,3R)-hex-4-en-3-amine (PubChem CID 11788266) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is (E,3R)-hex-4-en-3-amine.

Molecular Properties

Compound Name(E,3R)-hex-4-en-3-amine
PubChem CID11788266
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name(E,3R)-hex-4-en-3-amine
SMILESC/C=C/[C@H](N)CC
InChIInChI=1S/C6H13N/c1-3-5-6(7)4-2/h3,5-6H,4,7H2,1-2H3/b5-3+/t6-/m1/s1
InChIKeyBQDADOHFJBDCDD-MXTDHUQFSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

alpha-(Fluoromethyl)dehydroputrescine
CID 6439606
(4E)-4-Hexen-1-amine
CID 5466587
But-3-en-2-amine
CID 15584178
1-Amino-3-cyclopentene hydrochloride
CID 2756395
(1S)-cyclopent-2-en-1-amine hydrochloride
CID 154832487
Cyclopent-2-en-1-amine
CID 13532837
Cyclopent-2-en-1-amine hydrochloride
CID 13532839
But-3-en-2-amine hydrochloride
CID 18185425
Pent-4-en-2-amine hydrochloride
CID 18185429
(2R)-But-3-en-2-amine
CID 21082342
Pent-3-en-1-amine hydrochloride
CID 54593494
(2E)-pent-2-en-1-amine hydrochloride
CID 121552531

Frequently Asked Questions

What is the IUPAC name of (E,3R)-hex-4-en-3-amine?
The IUPAC name of (E,3R)-hex-4-en-3-amine (CID 11788266) is (E,3R)-hex-4-en-3-amine.
What is the SMILES notation for (E,3R)-hex-4-en-3-amine?
The canonical SMILES for (E,3R)-hex-4-en-3-amine is C/C=C/[C@H](N)CC.
What is the InChIKey of (E,3R)-hex-4-en-3-amine?
The InChIKey is BQDADOHFJBDCDD-MXTDHUQFSA-N. The full InChI is InChI=1S/C6H13N/c1-3-5-6(7)4-2/h3,5-6H,4,7H2,1-2H3/b5-3+/t6-/m1/s1.
What are the key properties of (E,3R)-hex-4-en-3-amine?
(E,3R)-hex-4-en-3-amine has a molecular weight of 99.18 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-hex-4-en-3-amine is sourced from PubChem (CID 11788266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).