(1S,4R)-N,N-diethyl-4-methoxycyclohex-2-en-1-amine

C11H21NO — CID 134900687

IUPAC(1S,4R)-N,N-diethyl-4-methoxycyclohex-2-en-1-amine
SMILESCCN(CC)[C@@H]1C=C[C@H](OC)CC1
InChIInChI=1S/C11H21NO/c1-4-12(5-2)10-6-8-11(13-3)9-7-10/h6,8,10-11H,4-5,7,9H2,1-3H3/t10-,11+/m1/s1
InChIKeyIODKKMISAPRBGU-MNOVXSKESA-N
MW183.29 g/mol
LogP2.06
Rot. Bonds4

About (1S,4R)-N,N-diethyl-4-methoxycyclohex-2-en-1-amine

(1S,4R)-N,N-diethyl-4-methoxycyclohex-2-en-1-amine (PubChem CID 134900687) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (1S,4R)-N,N-diethyl-4-methoxycyclohex-2-en-1-amine.

Molecular Properties

Compound Name(1S,4R)-N,N-diethyl-4-methoxycyclohex-2-en-1-amine
PubChem CID134900687
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(1S,4R)-N,N-diethyl-4-methoxycyclohex-2-en-1-amine
SMILESCCN(CC)[C@@H]1C=C[C@H](OC)CC1
InChIInChI=1S/C11H21NO/c1-4-12(5-2)10-6-8-11(13-3)9-7-10/h6,8,10-11H,4-5,7,9H2,1-3H3/t10-,11+/m1/s1
InChIKeyIODKKMISAPRBGU-MNOVXSKESA-N
XLogP2.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,4R)-N,N-diethyl-4-methoxycyclohex-2-en-1-amine
CID 13214893
[(1S,4R)-4-(diethylamino)cyclohex-2-en-1-yl] acetate
CID 639483
[(1R,4S)-4-(diethylamino)cyclohex-2-en-1-yl] acetate
CID 22298161
4-(1-methoxyethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 14442221
(6R)-4,5,6-trimethoxy-N,N-dipropylcyclohex-2-en-1-amine
CID 58241255
4,4-Diethyl-1-(4-methoxycyclohex-2-en-1-yl)piperidine
CID 134225136
(3Z,8E)-1-ethyl-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene
CID 144515518
(3Z,8E)-7-methoxy-1,3-dimethyl-1-azacyclotetradeca-3,8-diene
CID 144515557
1-cyclohexyl-3-methoxy-3,6-dihydro-2H-pyridine
CID 146661404
4-methoxy-N-methylcyclohex-2-en-1-amine
CID 149461992
5-methoxy-N,N-dipropylcyclohex-3-en-1-amine
CID 173400488
(1R,4R)-4-(diethylamino)cyclohex-2-en-1-ol
CID 10511339

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-N,N-diethyl-4-methoxycyclohex-2-en-1-amine?
The IUPAC name of (1S,4R)-N,N-diethyl-4-methoxycyclohex-2-en-1-amine (CID 134900687) is (1S,4R)-N,N-diethyl-4-methoxycyclohex-2-en-1-amine.
What is the SMILES notation for (1S,4R)-N,N-diethyl-4-methoxycyclohex-2-en-1-amine?
The canonical SMILES for (1S,4R)-N,N-diethyl-4-methoxycyclohex-2-en-1-amine is CCN(CC)[C@@H]1C=C[C@H](OC)CC1.
What is the InChIKey of (1S,4R)-N,N-diethyl-4-methoxycyclohex-2-en-1-amine?
The InChIKey is IODKKMISAPRBGU-MNOVXSKESA-N. The full InChI is InChI=1S/C11H21NO/c1-4-12(5-2)10-6-8-11(13-3)9-7-10/h6,8,10-11H,4-5,7,9H2,1-3H3/t10-,11+/m1/s1.
What are the key properties of (1S,4R)-N,N-diethyl-4-methoxycyclohex-2-en-1-amine?
(1S,4R)-N,N-diethyl-4-methoxycyclohex-2-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-N,N-diethyl-4-methoxycyclohex-2-en-1-amine is sourced from PubChem (CID 134900687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).