N-(oxan-3-ylmethyl)cyclohex-2-en-1-amine

C12H21NO — CID 103923742

IUPACN-(oxan-3-ylmethyl)cyclohex-2-en-1-amine
SMILESC1=CC(NCC2CCCOC2)CCC1
InChIInChI=1S/C12H21NO/c1-2-6-12(7-3-1)13-9-11-5-4-8-14-10-11/h2,6,11-13H,1,3-5,7-10H2
InChIKeyYXONREZGYOQOQB-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.11
Rot. Bonds3

About N-(oxan-3-ylmethyl)cyclohex-2-en-1-amine

N-(oxan-3-ylmethyl)cyclohex-2-en-1-amine (PubChem CID 103923742) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)cyclohex-2-en-1-amine
PubChem CID103923742
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-(oxan-3-ylmethyl)cyclohex-2-en-1-amine
SMILESC1=CC(NCC2CCCOC2)CCC1
InChIInChI=1S/C12H21NO/c1-2-6-12(7-3-1)13-9-11-5-4-8-14-10-11/h2,6,11-13H,1,3-5,7-10H2
InChIKeyYXONREZGYOQOQB-UHFFFAOYSA-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-(oxan-3-ylmethyl)but-3-en-1-amine
CID 64314422
3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinoline
CID 66849423
(4R)-4,6-dimethyl-3-[[(3R)-piperidin-3-yl]methoxy]cyclohex-2-en-1-amine
CID 70864159
N-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine
CID 71069597
2-Azabicyclo[2.2.2]oct-7-en-6-ylmethanol
CID 76225426
3-(Cyclohexa-1,3-dien-1-yloxymethyl)piperidine
CID 146685265
1-(2-methylpropyl)-1-N-(oxan-4-yl)cyclohexa-3,5-diene-1,2-diamine
CID 150689047
3-(Cyclohexa-1,3-dien-1-yloxymethyl)-2-methylpiperidine
CID 173509032
N-(3-methylcyclohex-2-en-1-yl)oxan-4-amine
CID 177317433
N-(cyclohex-3-en-1-ylmethyl)oxan-4-amine
CID 43609615
3-(Pent-4-enoxymethyl)piperidine
CID 53409457
N-[5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentyl]cyclopropanamine
CID 55077567

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)cyclohex-2-en-1-amine?
The IUPAC name of N-(oxan-3-ylmethyl)cyclohex-2-en-1-amine (CID 103923742) is N-(oxan-3-ylmethyl)cyclohex-2-en-1-amine.
What is the SMILES notation for N-(oxan-3-ylmethyl)cyclohex-2-en-1-amine?
The canonical SMILES for N-(oxan-3-ylmethyl)cyclohex-2-en-1-amine is C1=CC(NCC2CCCOC2)CCC1.
What is the InChIKey of N-(oxan-3-ylmethyl)cyclohex-2-en-1-amine?
The InChIKey is YXONREZGYOQOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-6-12(7-3-1)13-9-11-5-4-8-14-10-11/h2,6,11-13H,1,3-5,7-10H2.
What are the key properties of N-(oxan-3-ylmethyl)cyclohex-2-en-1-amine?
N-(oxan-3-ylmethyl)cyclohex-2-en-1-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 N-(oxan-3-ylmethyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 103923742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).