N-(2-methoxyethyl)-3,5-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine

C17H30N2OS — CID 64751520

IUPACN-(2-methoxyethyl)-3,5-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESCOCCNC1(c2nc(C(C)C)cs2)CC(C)CC(C)C1
InChIInChI=1S/C17H30N2OS/c1-12(2)15-11-21-16(19-15)17(18-6-7-20-5)9-13(3)8-14(4)10-17/h11-14,18H,6-10H2,1-5H3
InChIKeyDUUGHXBHPPYQHX-UHFFFAOYSA-N
MW310.51 g/mol
LogP4.15
Rot. Bonds6

About N-(2-methoxyethyl)-3,5-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine

N-(2-methoxyethyl)-3,5-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine (PubChem CID 64751520) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3,5-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3,5-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
PubChem CID64751520
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC NameN-(2-methoxyethyl)-3,5-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESCOCCNC1(c2nc(C(C)C)cs2)CC(C)CC(C)C1
InChIInChI=1S/C17H30N2OS/c1-12(2)15-11-21-16(19-15)17(18-6-7-20-5)9-13(3)8-14(4)10-17/h11-14,18H,6-10H2,1-5H3
InChIKeyDUUGHXBHPPYQHX-UHFFFAOYSA-N
XLogP4.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3,5-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3,5-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine (CID 64751520) is N-(2-methoxyethyl)-3,5-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3,5-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3,5-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine is COCCNC1(c2nc(C(C)C)cs2)CC(C)CC(C)C1.
What is the InChIKey of N-(2-methoxyethyl)-3,5-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The InChIKey is DUUGHXBHPPYQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-12(2)15-11-21-16(19-15)17(18-6-7-20-5)9-13(3)8-14(4)10-17/h11-14,18H,6-10H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-3,5-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine?
N-(2-methoxyethyl)-3,5-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine has a molecular weight of 310.51 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3,5-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 64751520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).