N-[2-(oxolan-3-yl)ethyl]cyclohex-2-en-1-amine

C12H21NO — CID 102672599

IUPACN-[2-(oxolan-3-yl)ethyl]cyclohex-2-en-1-amine
SMILESC1=CC(NCCC2CCOC2)CCC1
InChIInChI=1S/C12H21NO/c1-2-4-12(5-3-1)13-8-6-11-7-9-14-10-11/h2,4,11-13H,1,3,5-10H2
InChIKeyUPCFHMCKTHMPGO-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.11
Rot. Bonds4

About N-[2-(oxolan-3-yl)ethyl]cyclohex-2-en-1-amine

N-[2-(oxolan-3-yl)ethyl]cyclohex-2-en-1-amine (PubChem CID 102672599) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[2-(oxolan-3-yl)ethyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(oxolan-3-yl)ethyl]cyclohex-2-en-1-amine
PubChem CID102672599
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[2-(oxolan-3-yl)ethyl]cyclohex-2-en-1-amine
SMILESC1=CC(NCCC2CCOC2)CCC1
InChIInChI=1S/C12H21NO/c1-2-4-12(5-3-1)13-8-6-11-7-9-14-10-11/h2,4,11-13H,1,3,5-10H2
InChIKeyUPCFHMCKTHMPGO-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.11
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

(Cyclohex-3-en-1-ylmethyl)(tetrahydrofuran-2-ylmethyl)amine
CID 17053140
N-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine
CID 71069597
4-(Oxolan-3-yl)-1,2,3,6-tetrahydropyridin-3-amine
CID 163511528
3-Ethyl-4-methyl-6-(oxolan-3-ylmethyl)-1,2-dihydropyridine
CID 163797160
2-(Oxolan-3-yl)-1,2,3,6-tetrahydropyridine
CID 173551440
1-[(1R)-cyclohex-3-en-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
CID 1532888
1-[(1R)-cyclohex-3-en-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 27444133
1-[(1S)-cyclohex-3-en-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 27444135
1-[(1S)-cyclohex-3-en-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
CID 27444137
(2S)-6-methyl-N-[3-[(3R)-oxolan-3-yl]propyl]hept-5-en-2-amine
CID 29259175
(2R)-6-methyl-N-[3-[(3R)-oxolan-3-yl]propyl]hept-5-en-2-amine
CID 29259177
(2S)-6-methyl-N-[3-[(3S)-oxolan-3-yl]propyl]hept-5-en-2-amine
CID 29259179

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-3-yl)ethyl]cyclohex-2-en-1-amine?
The IUPAC name of N-[2-(oxolan-3-yl)ethyl]cyclohex-2-en-1-amine (CID 102672599) is N-[2-(oxolan-3-yl)ethyl]cyclohex-2-en-1-amine.
What is the SMILES notation for N-[2-(oxolan-3-yl)ethyl]cyclohex-2-en-1-amine?
The canonical SMILES for N-[2-(oxolan-3-yl)ethyl]cyclohex-2-en-1-amine is C1=CC(NCCC2CCOC2)CCC1.
What is the InChIKey of N-[2-(oxolan-3-yl)ethyl]cyclohex-2-en-1-amine?
The InChIKey is UPCFHMCKTHMPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-4-12(5-3-1)13-8-6-11-7-9-14-10-11/h2,4,11-13H,1,3,5-10H2.
What are the key properties of N-[2-(oxolan-3-yl)ethyl]cyclohex-2-en-1-amine?
N-[2-(oxolan-3-yl)ethyl]cyclohex-2-en-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-3-yl)ethyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 102672599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).