(2R,3R)-N-(cyclohex-3-en-1-ylmethyl)-2-methyloxolan-3-amine

C12H21NO — CID 130689650

IUPAC(2R,3R)-N-(cyclohex-3-en-1-ylmethyl)-2-methyloxolan-3-amine
SMILESC[C@H]1OCC[C@H]1NCC1CC=CCC1
InChIInChI=1S/C12H21NO/c1-10-12(7-8-14-10)13-9-11-5-3-2-4-6-11/h2-3,10-13H,4-9H2,1H3/t10-,11?,12-/m1/s1
InChIKeyVPTDMFVHXRGVNU-IGBJHFKCSA-N
MW195.31 g/mol
LogP2.11
Rot. Bonds3

About (2R,3R)-N-(cyclohex-3-en-1-ylmethyl)-2-methyloxolan-3-amine

(2R,3R)-N-(cyclohex-3-en-1-ylmethyl)-2-methyloxolan-3-amine (PubChem CID 130689650) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (2R,3R)-N-(cyclohex-3-en-1-ylmethyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound Name(2R,3R)-N-(cyclohex-3-en-1-ylmethyl)-2-methyloxolan-3-amine
PubChem CID130689650
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(2R,3R)-N-(cyclohex-3-en-1-ylmethyl)-2-methyloxolan-3-amine
SMILESC[C@H]1OCC[C@H]1NCC1CC=CCC1
InChIInChI=1S/C12H21NO/c1-10-12(7-8-14-10)13-9-11-5-3-2-4-6-11/h2-3,10-13H,4-9H2,1H3/t10-,11?,12-/m1/s1
InChIKeyVPTDMFVHXRGVNU-IGBJHFKCSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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
2-[(4-Fluorocyclohexa-2,4-dien-1-yl)methyl]-5-methylmorpholine
CID 70875326
(3S,4R)-4-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methyloxolan-3-amine
CID 89089152
(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
(2S,3R)-2-cyclohexa-2,4-dien-1-yl-3-methylmorpholine
CID 68213205
3-Ethyl-6-oxa-2-azaspiro[4.5]dec-8-ene
CID 68390210
3-Propan-2-yl-6-oxa-2-azaspiro[4.5]dec-8-ene
CID 68390271
N-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine
CID 71069597
(3R)-2-cyclohexa-2,4-dien-1-yl-3-methylmorpholine
CID 89109782
1-cyclohexa-2,4-dien-1-yl-3-ethoxy-N-methylbut-3-en-2-amine
CID 91280117

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(cyclohex-3-en-1-ylmethyl)-2-methyloxolan-3-amine?
The IUPAC name of (2R,3R)-N-(cyclohex-3-en-1-ylmethyl)-2-methyloxolan-3-amine (CID 130689650) is (2R,3R)-N-(cyclohex-3-en-1-ylmethyl)-2-methyloxolan-3-amine.
What is the SMILES notation for (2R,3R)-N-(cyclohex-3-en-1-ylmethyl)-2-methyloxolan-3-amine?
The canonical SMILES for (2R,3R)-N-(cyclohex-3-en-1-ylmethyl)-2-methyloxolan-3-amine is C[C@H]1OCC[C@H]1NCC1CC=CCC1.
What is the InChIKey of (2R,3R)-N-(cyclohex-3-en-1-ylmethyl)-2-methyloxolan-3-amine?
The InChIKey is VPTDMFVHXRGVNU-IGBJHFKCSA-N. The full InChI is InChI=1S/C12H21NO/c1-10-12(7-8-14-10)13-9-11-5-3-2-4-6-11/h2-3,10-13H,4-9H2,1H3/t10-,11?,12-/m1/s1.
What are the key properties of (2R,3R)-N-(cyclohex-3-en-1-ylmethyl)-2-methyloxolan-3-amine?
(2R,3R)-N-(cyclohex-3-en-1-ylmethyl)-2-methyloxolan-3-amine has a molecular weight of 195.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(cyclohex-3-en-1-ylmethyl)-2-methyloxolan-3-amine is sourced from PubChem (CID 130689650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).