3-cyclohex-2-en-1-yloxypentan-1-amine

C11H21NO — CID 142274343

IUPAC3-cyclohex-2-en-1-yloxypentan-1-amine
SMILESCCC(CCN)OC1C=CCCC1
InChIInChI=1S/C11H21NO/c1-2-10(8-9-12)13-11-6-4-3-5-7-11/h4,6,10-11H,2-3,5,7-9,12H2,1H3
InChIKeyOTJYDYAAGXWHGF-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.24
Rot. Bonds5

About 3-cyclohex-2-en-1-yloxypentan-1-amine

3-cyclohex-2-en-1-yloxypentan-1-amine (PubChem CID 142274343) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 3-cyclohex-2-en-1-yloxypentan-1-amine.

Molecular Properties

Compound Name3-cyclohex-2-en-1-yloxypentan-1-amine
PubChem CID142274343
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name3-cyclohex-2-en-1-yloxypentan-1-amine
SMILESCCC(CCN)OC1C=CCCC1
InChIInChI=1S/C11H21NO/c1-2-10(8-9-12)13-11-6-4-3-5-7-11/h4,6,10-11H,2-3,5,7-9,12H2,1H3
InChIKeyOTJYDYAAGXWHGF-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.24
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

(1R)-5-fluoro-4-propan-2-yloxycyclohex-2-en-1-amine
CID 169580239
3-Cyclohex-2-en-1-yloxypropan-1-amine
CID 58684071
2-Cyclohex-2-en-1-yloxyethanamine
CID 58685132
(Z)-4-methoxyhept-2-en-1-amine
CID 89073845
5-Cyclohexyloxycyclohex-3-en-1-amine
CID 89073915
(Z)-4-methoxyhept-5-en-1-amine
CID 89153850
6-Cyclohex-3-en-1-yloxyhexan-1-amine
CID 89197341
5-Cyclohex-3-en-1-yloxypentan-1-amine
CID 89197343
[(4S)-4-methoxycyclohex-2-en-1-yl]methanamine
CID 89381392
3-Cyclohex-2-en-1-yloxycyclobutan-1-amine
CID 114620337
(6E)-8-ethoxynona-6,8-dien-1-amine
CID 130197581
3-(1,3,4,5,5,6,6-Heptadeuterio-4-methoxycyclohex-2-en-1-yl)oxypropan-1-amine
CID 140151446

Frequently Asked Questions

What is the IUPAC name of 3-cyclohex-2-en-1-yloxypentan-1-amine?
The IUPAC name of 3-cyclohex-2-en-1-yloxypentan-1-amine (CID 142274343) is 3-cyclohex-2-en-1-yloxypentan-1-amine.
What is the SMILES notation for 3-cyclohex-2-en-1-yloxypentan-1-amine?
The canonical SMILES for 3-cyclohex-2-en-1-yloxypentan-1-amine is CCC(CCN)OC1C=CCCC1.
What is the InChIKey of 3-cyclohex-2-en-1-yloxypentan-1-amine?
The InChIKey is OTJYDYAAGXWHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-10(8-9-12)13-11-6-4-3-5-7-11/h4,6,10-11H,2-3,5,7-9,12H2,1H3.
What are the key properties of 3-cyclohex-2-en-1-yloxypentan-1-amine?
3-cyclohex-2-en-1-yloxypentan-1-amine has a molecular weight of 183.30 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-2-en-1-yloxypentan-1-amine is sourced from PubChem (CID 142274343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).