(3Z)-3-[(5-methyloxolan-2-yl)methylidene]cyclohexan-1-amine

C12H21NO — CID 103143068

IUPAC(3Z)-3-[(5-methyloxolan-2-yl)methylidene]cyclohexan-1-amine
SMILESCC1CCC(/C=C2/CCCC(N)C2)O1
InChIInChI=1S/C12H21NO/c1-9-5-6-12(14-9)8-10-3-2-4-11(13)7-10/h8-9,11-12H,2-7,13H2,1H3/b10-8-
InChIKeyRLDRIPCIKHUSTN-NTMALXAHSA-N
MW195.31 g/mol
LogP2.38
Rot. Bonds1

About (3Z)-3-[(5-methyloxolan-2-yl)methylidene]cyclohexan-1-amine

(3Z)-3-[(5-methyloxolan-2-yl)methylidene]cyclohexan-1-amine (PubChem CID 103143068) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (3Z)-3-[(5-methyloxolan-2-yl)methylidene]cyclohexan-1-amine.

Molecular Properties

Compound Name(3Z)-3-[(5-methyloxolan-2-yl)methylidene]cyclohexan-1-amine
PubChem CID103143068
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(3Z)-3-[(5-methyloxolan-2-yl)methylidene]cyclohexan-1-amine
SMILESCC1CCC(/C=C2/CCCC(N)C2)O1
InChIInChI=1S/C12H21NO/c1-9-5-6-12(14-9)8-10-3-2-4-11(13)7-10/h8-9,11-12H,2-7,13H2,1H3/b10-8-
InChIKeyRLDRIPCIKHUSTN-NTMALXAHSA-N
XLogP2.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.38
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

4-Cyclopentyloxy-5-ethylcyclohexa-2,4-dien-1-amine
CID 70974500
(E)-6-(oxolan-2-yl)oct-5-en-3-amine
CID 89074037
4-Cyclopentyloxy-2-methylcyclohex-2-en-1-amine
CID 89154099
3-Cyclohex-2-en-1-yloxypentan-1-amine
CID 142274343
3-Methyl-5-pentan-3-yloxycyclohex-3-en-1-amine
CID 145594625
(Z)-4-(1-methoxyethyl)hex-4-en-2-amine
CID 163745738
[5-(Aminomethyl)-4-ethoxyoct-5-en-2-yl]azanium
CID 164107349
3-(Ethoxymethyl)cyclohex-2-en-1-amine
CID 79568782
3-(Propan-2-yloxymethyl)cyclohex-2-en-1-amine
CID 79568783
3-(Propoxymethyl)cyclohex-2-en-1-amine
CID 79568941
3-(Propan-2-yloxymethyl)cyclopent-2-en-1-amine
CID 79569409
3-(Propoxymethyl)cyclopent-2-en-1-amine
CID 79569410

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(5-methyloxolan-2-yl)methylidene]cyclohexan-1-amine?
The IUPAC name of (3Z)-3-[(5-methyloxolan-2-yl)methylidene]cyclohexan-1-amine (CID 103143068) is (3Z)-3-[(5-methyloxolan-2-yl)methylidene]cyclohexan-1-amine.
What is the SMILES notation for (3Z)-3-[(5-methyloxolan-2-yl)methylidene]cyclohexan-1-amine?
The canonical SMILES for (3Z)-3-[(5-methyloxolan-2-yl)methylidene]cyclohexan-1-amine is CC1CCC(/C=C2/CCCC(N)C2)O1.
What is the InChIKey of (3Z)-3-[(5-methyloxolan-2-yl)methylidene]cyclohexan-1-amine?
The InChIKey is RLDRIPCIKHUSTN-NTMALXAHSA-N. The full InChI is InChI=1S/C12H21NO/c1-9-5-6-12(14-9)8-10-3-2-4-11(13)7-10/h8-9,11-12H,2-7,13H2,1H3/b10-8-.
What are the key properties of (3Z)-3-[(5-methyloxolan-2-yl)methylidene]cyclohexan-1-amine?
(3Z)-3-[(5-methyloxolan-2-yl)methylidene]cyclohexan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(5-methyloxolan-2-yl)methylidene]cyclohexan-1-amine is sourced from PubChem (CID 103143068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).