N-ethyl-2-(3-methoxypropylsulfanyl)-4-propan-2-ylcyclohexan-1-amine

C15H31NOS — CID 64626260

IUPACN-ethyl-2-(3-methoxypropylsulfanyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1SCCCOC
InChIInChI=1S/C15H31NOS/c1-5-16-14-8-7-13(12(2)3)11-15(14)18-10-6-9-17-4/h12-16H,5-11H2,1-4H3
InChIKeyCBGBBEJQTCMBLK-UHFFFAOYSA-N
MW273.49 g/mol
LogP3.56
Rot. Bonds8

About N-ethyl-2-(3-methoxypropylsulfanyl)-4-propan-2-ylcyclohexan-1-amine

N-ethyl-2-(3-methoxypropylsulfanyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 64626260) has the molecular formula C15H31NOS and a molecular weight of 273.49 g/mol. Its IUPAC name is N-ethyl-2-(3-methoxypropylsulfanyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-methoxypropylsulfanyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID64626260
Molecular FormulaC15H31NOS
Molecular Weight273.49 g/mol
Exact Mass273.21
IUPAC NameN-ethyl-2-(3-methoxypropylsulfanyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1SCCCOC
InChIInChI=1S/C15H31NOS/c1-5-16-14-8-7-13(12(2)3)11-15(14)18-10-6-9-17-4/h12-16H,5-11H2,1-4H3
InChIKeyCBGBBEJQTCMBLK-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-2-(3-methoxypropylsulfanyl)-4-propan-2-ylcyclohexan-1-amine with MolForge

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Related Compounds

methyl 2-[2-(ethylamino)-5-propan-2-ylcyclohexyl]sulfanylacetate
CID 64613535
N-ethyl-2-methylsulfanyl-4-propan-2-ylcyclohexan-1-amine
CID 64627479
N-ethyl-2-(3-methoxypropylsulfanyl)-4-phenylcyclohexan-1-amine
CID 64626468
N-ethyl-2-(3-methoxypropylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 64659603
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 64632318
4-propan-2-yl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine
CID 64634442
2-(2-methoxyethyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62740231
N-ethyl-2-[2-(2-methylpropoxy)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 106454513
N-ethyl-4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 116616694
N-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine
CID 103698848
N-ethyl-7-(2-methoxyethylsulfanyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 64612372
N-ethyl-2-(2-methylpentyl)-4-propan-2-ylcyclohexan-1-amine
CID 55186543

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methoxypropylsulfanyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2-(3-methoxypropylsulfanyl)-4-propan-2-ylcyclohexan-1-amine (CID 64626260) is N-ethyl-2-(3-methoxypropylsulfanyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-(3-methoxypropylsulfanyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-(3-methoxypropylsulfanyl)-4-propan-2-ylcyclohexan-1-amine is CCNC1CCC(C(C)C)CC1SCCCOC.
What is the InChIKey of N-ethyl-2-(3-methoxypropylsulfanyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is CBGBBEJQTCMBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NOS/c1-5-16-14-8-7-13(12(2)3)11-15(14)18-10-6-9-17-4/h12-16H,5-11H2,1-4H3.
What are the key properties of N-ethyl-2-(3-methoxypropylsulfanyl)-4-propan-2-ylcyclohexan-1-amine?
N-ethyl-2-(3-methoxypropylsulfanyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 273.49 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methoxypropylsulfanyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 64626260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).