(3R)-3-ethylpent-4-en-1-amine

C7H15N — CID 122576147

IUPAC(3R)-3-ethylpent-4-en-1-amine
SMILESC=C[C@H](CC)CCN
InChIInChI=1S/C7H15N/c1-3-7(4-2)5-6-8/h3,7H,1,4-6,8H2,2H3/t7-/m1/s1
InChIKeySNURVTHAOPZKCX-SSDOTTSWSA-N
MW113.20 g/mol
LogP1.55
Rot. Bonds4

About (3R)-3-ethylpent-4-en-1-amine

(3R)-3-ethylpent-4-en-1-amine (PubChem CID 122576147) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is (3R)-3-ethylpent-4-en-1-amine.

Molecular Properties

Compound Name(3R)-3-ethylpent-4-en-1-amine
PubChem CID122576147
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name(3R)-3-ethylpent-4-en-1-amine
SMILESC=C[C@H](CC)CCN
InChIInChI=1S/C7H15N/c1-3-7(4-2)5-6-8/h3,7H,1,4-6,8H2,2H3/t7-/m1/s1
InChIKeySNURVTHAOPZKCX-SSDOTTSWSA-N
XLogP1.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethylpent-4-en-1-amine?
The IUPAC name of (3R)-3-ethylpent-4-en-1-amine (CID 122576147) is (3R)-3-ethylpent-4-en-1-amine.
What is the SMILES notation for (3R)-3-ethylpent-4-en-1-amine?
The canonical SMILES for (3R)-3-ethylpent-4-en-1-amine is C=C[C@H](CC)CCN.
What is the InChIKey of (3R)-3-ethylpent-4-en-1-amine?
The InChIKey is SNURVTHAOPZKCX-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15N/c1-3-7(4-2)5-6-8/h3,7H,1,4-6,8H2,2H3/t7-/m1/s1.
What are the key properties of (3R)-3-ethylpent-4-en-1-amine?
(3R)-3-ethylpent-4-en-1-amine has a molecular weight of 113.20 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethylpent-4-en-1-amine is sourced from PubChem (CID 122576147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).