1-[(1R)-cyclohex-3-en-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine

C12H21NO — CID 27444133

IUPAC1-[(1R)-cyclohex-3-en-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
SMILESC1=CC[C@H](CNC[C@H]2CCCO2)CC1
InChIInChI=1S/C12H21NO/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-2,11-13H,3-10H2/t11-,12+/m0/s1
InChIKeyTVIFZOAOZVZEEA-NWDGAFQWSA-N
MW195.31 g/mol
LogP2.11
Rot. Bonds4

About 1-[(1R)-cyclohex-3-en-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine

1-[(1R)-cyclohex-3-en-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine (PubChem CID 27444133) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-[(1R)-cyclohex-3-en-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-[(1R)-cyclohex-3-en-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
PubChem CID27444133
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-[(1R)-cyclohex-3-en-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
SMILESC1=CC[C@H](CNC[C@H]2CCCO2)CC1
InChIInChI=1S/C12H21NO/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-2,11-13H,3-10H2/t11-,12+/m0/s1
InChIKeyTVIFZOAOZVZEEA-NWDGAFQWSA-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

N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 75443988
Bicyclo[2.2.1]hept-5-en-2-ylmethyl-(tetrahydro-furan-2-ylmethyl)-amine
CID 3156817
(Cyclohex-3-en-1-ylmethyl)(tetrahydrofuran-2-ylmethyl)amine
CID 17053140
2-Cyclopent-2-en-1-ylmorpholine
CID 67328661
2-(Cyclohex-3-en-1-yl)morpholine
CID 67609598
(3S,4R)-3-[(E)-hex-2-enyl]-4-methoxypyrrolidine
CID 167224673
2-Octa-5,7-dien-2-ylmorpholine
CID 173438470
2-Cyclohex-2-en-1-ylmorpholine
CID 174680741
3-Propan-2-yloxy-1-azaspiro[4.4]non-7-ene
CID 176616418
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 1090557
1-[(1R)-cyclohex-3-en-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
CID 1532888
[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium
CID 11861017

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-cyclohex-3-en-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine?
The IUPAC name of 1-[(1R)-cyclohex-3-en-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine (CID 27444133) is 1-[(1R)-cyclohex-3-en-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine.
What is the SMILES notation for 1-[(1R)-cyclohex-3-en-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine?
The canonical SMILES for 1-[(1R)-cyclohex-3-en-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine is C1=CC[C@H](CNC[C@H]2CCCO2)CC1.
What is the InChIKey of 1-[(1R)-cyclohex-3-en-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine?
The InChIKey is TVIFZOAOZVZEEA-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-2,11-13H,3-10H2/t11-,12+/m0/s1.
What are the key properties of 1-[(1R)-cyclohex-3-en-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine?
1-[(1R)-cyclohex-3-en-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine 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 1-[(1R)-cyclohex-3-en-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine is sourced from PubChem (CID 27444133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).