1-(1-methoxycyclopentyl)hex-5-en-1-amine

C12H23NO — CID 104610590

IUPAC1-(1-methoxycyclopentyl)hex-5-en-1-amine
SMILESC=CCCCC(N)C1(OC)CCCC1
InChIInChI=1S/C12H23NO/c1-3-4-5-8-11(13)12(14-2)9-6-7-10-12/h3,11H,1,4-10,13H2,2H3
InChIKeyDEVVPBLXTBEOIJ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.63
Rot. Bonds6

About 1-(1-methoxycyclopentyl)hex-5-en-1-amine

1-(1-methoxycyclopentyl)hex-5-en-1-amine (PubChem CID 104610590) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(1-methoxycyclopentyl)hex-5-en-1-amine.

Molecular Properties

Compound Name1-(1-methoxycyclopentyl)hex-5-en-1-amine
PubChem CID104610590
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(1-methoxycyclopentyl)hex-5-en-1-amine
SMILESC=CCCCC(N)C1(OC)CCCC1
InChIInChI=1S/C12H23NO/c1-3-4-5-8-11(13)12(14-2)9-6-7-10-12/h3,11H,1,4-10,13H2,2H3
InChIKeyDEVVPBLXTBEOIJ-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclopentyl)hex-5-en-1-amine?
The IUPAC name of 1-(1-methoxycyclopentyl)hex-5-en-1-amine (CID 104610590) is 1-(1-methoxycyclopentyl)hex-5-en-1-amine.
What is the SMILES notation for 1-(1-methoxycyclopentyl)hex-5-en-1-amine?
The canonical SMILES for 1-(1-methoxycyclopentyl)hex-5-en-1-amine is C=CCCCC(N)C1(OC)CCCC1.
What is the InChIKey of 1-(1-methoxycyclopentyl)hex-5-en-1-amine?
The InChIKey is DEVVPBLXTBEOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-4-5-8-11(13)12(14-2)9-6-7-10-12/h3,11H,1,4-10,13H2,2H3.
What are the key properties of 1-(1-methoxycyclopentyl)hex-5-en-1-amine?
1-(1-methoxycyclopentyl)hex-5-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclopentyl)hex-5-en-1-amine is sourced from PubChem (CID 104610590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).