(1R)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohex-3-en-1-amine

C16H31NO2 — CID 167068206

IUPAC(1R)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohex-3-en-1-amine
SMILESCOCCN(CCOC)[C@H]1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C16H31NO2/c1-16(2,3)14-6-8-15(9-7-14)17(10-12-18-4)11-13-19-5/h6,15H,7-13H2,1-5H3/t15-/m0/s1
InChIKeyMYHSVUQMYBAJPV-HNNXBMFYSA-N
MW269.43 g/mol
LogP3.11
Rot. Bonds7

About (1R)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohex-3-en-1-amine

(1R)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohex-3-en-1-amine (PubChem CID 167068206) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is (1R)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name(1R)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohex-3-en-1-amine
PubChem CID167068206
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name(1R)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohex-3-en-1-amine
SMILESCOCCN(CCOC)[C@H]1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C16H31NO2/c1-16(2,3)14-6-8-15(9-7-14)17(10-12-18-4)11-13-19-5/h6,15H,7-13H2,1-5H3/t15-/m0/s1
InChIKeyMYHSVUQMYBAJPV-HNNXBMFYSA-N
XLogP3.11
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohex-3-en-1-amine?
The IUPAC name of (1R)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohex-3-en-1-amine (CID 167068206) is (1R)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohex-3-en-1-amine.
What is the SMILES notation for (1R)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohex-3-en-1-amine?
The canonical SMILES for (1R)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohex-3-en-1-amine is COCCN(CCOC)[C@H]1CC=C(C(C)(C)C)CC1.
What is the InChIKey of (1R)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohex-3-en-1-amine?
The InChIKey is MYHSVUQMYBAJPV-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-16(2,3)14-6-8-15(9-7-14)17(10-12-18-4)11-13-19-5/h6,15H,7-13H2,1-5H3/t15-/m0/s1.
What are the key properties of (1R)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohex-3-en-1-amine?
(1R)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohex-3-en-1-amine has a molecular weight of 269.43 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohex-3-en-1-amine is sourced from PubChem (CID 167068206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).