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

C12H21NO — CID 63331729

IUPACN-[2-(cyclohexen-1-yl)ethyl]oxolan-3-amine
SMILESC1=C(CCNC2CCOC2)CCCC1
InChIInChI=1S/C12H21NO/c1-2-4-11(5-3-1)6-8-13-12-7-9-14-10-12/h4,12-13H,1-3,5-10H2
InChIKeyFADFJYCGQAMJQO-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.26
Rot. Bonds4

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

N-[2-(cyclohexen-1-yl)ethyl]oxolan-3-amine (PubChem CID 63331729) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]oxolan-3-amine
PubChem CID63331729
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]oxolan-3-amine
SMILESC1=C(CCNC2CCOC2)CCCC1
InChIInChI=1S/C12H21NO/c1-2-4-11(5-3-1)6-8-13-12-7-9-14-10-12/h4,12-13H,1-3,5-10H2
InChIKeyFADFJYCGQAMJQO-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
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-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxan-3-amine
CID 115896016
N-[2-(cyclohexen-1-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131687
(3R)-N-[2-(cyclohexen-1-yl)ethyl]thiolan-3-amine
CID 28620749
2-(cyclohexen-1-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62387139
(3S)-N-[2-(cyclohexen-1-yl)ethyl]thian-3-amine
CID 94885734
N-[2-(cyclohexen-1-yl)ethyl]-4-ethylcycloheptan-1-amine
CID 65082862
2-[2-(cyclohexen-1-yl)ethylamino]cyclopentan-1-ol
CID 60713815
N-[2-(cyclohexen-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 61308957
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 43634059
1-[2-(cyclopenten-1-yl)ethyl]-3-(oxan-4-yl)urea
CID 127648179
cis-(1S,2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclopentan-1-amine
CID 97030527
N-[2-(cyclopenten-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844817

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]oxolan-3-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]oxolan-3-amine (CID 63331729) is N-[2-(cyclohexen-1-yl)ethyl]oxolan-3-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]oxolan-3-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]oxolan-3-amine is C1=C(CCNC2CCOC2)CCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]oxolan-3-amine?
The InChIKey is FADFJYCGQAMJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-4-11(5-3-1)6-8-13-12-7-9-14-10-12/h4,12-13H,1-3,5-10H2.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]oxolan-3-amine?
N-[2-(cyclohexen-1-yl)ethyl]oxolan-3-amine has a molecular weight of 195.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]oxolan-3-amine is sourced from PubChem (CID 63331729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).