(E)-3-(1-methoxycyclopentyl)prop-2-en-1-amine

C9H17NO — CID 131237417

IUPAC(E)-3-(1-methoxycyclopentyl)prop-2-en-1-amine
SMILESCOC1(/C=C/CN)CCCC1
InChIInChI=1S/C9H17NO/c1-11-9(7-4-8-10)5-2-3-6-9/h4,7H,2-3,5-6,8,10H2,1H3/b7-4+
InChIKeyDDHIWFKJAPTXMJ-QPJJXVBHSA-N
MW155.24 g/mol
LogP1.46
Rot. Bonds3

About (E)-3-(1-methoxycyclopentyl)prop-2-en-1-amine

(E)-3-(1-methoxycyclopentyl)prop-2-en-1-amine (PubChem CID 131237417) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-3-(1-methoxycyclopentyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(1-methoxycyclopentyl)prop-2-en-1-amine
PubChem CID131237417
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-3-(1-methoxycyclopentyl)prop-2-en-1-amine
SMILESCOC1(/C=C/CN)CCCC1
InChIInChI=1S/C9H17NO/c1-11-9(7-4-8-10)5-2-3-6-9/h4,7H,2-3,5-6,8,10H2,1H3/b7-4+
InChIKeyDDHIWFKJAPTXMJ-QPJJXVBHSA-N
XLogP1.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2,5,5-Tetramethyloxolan-3-ylidene)ethanamine
CID 79934486
(E)-3-(1-methoxycyclohexyl)prop-2-en-1-amine
CID 131237418
(E)-4-(1-methoxycyclopentyl)but-3-en-2-amine
CID 131245888

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-methoxycyclopentyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(1-methoxycyclopentyl)prop-2-en-1-amine (CID 131237417) is (E)-3-(1-methoxycyclopentyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(1-methoxycyclopentyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(1-methoxycyclopentyl)prop-2-en-1-amine is COC1(/C=C/CN)CCCC1.
What is the InChIKey of (E)-3-(1-methoxycyclopentyl)prop-2-en-1-amine?
The InChIKey is DDHIWFKJAPTXMJ-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H17NO/c1-11-9(7-4-8-10)5-2-3-6-9/h4,7H,2-3,5-6,8,10H2,1H3/b7-4+.
What are the key properties of (E)-3-(1-methoxycyclopentyl)prop-2-en-1-amine?
(E)-3-(1-methoxycyclopentyl)prop-2-en-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-methoxycyclopentyl)prop-2-en-1-amine is sourced from PubChem (CID 131237417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).