N-[2-(3-methylbutoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine

C14H29NOS — CID 103779518

IUPACN-[2-(3-methylbutoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCCC1NCCOCCC(C)C
InChIInChI=1S/C14H29NOS/c1-12(2)8-10-16-11-9-15-13-6-4-5-7-14(13)17-3/h12-15H,4-11H2,1-3H3
InChIKeyGYGMXOTVJNSHHX-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.31
Rot. Bonds8

About N-[2-(3-methylbutoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine

N-[2-(3-methylbutoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine (PubChem CID 103779518) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is N-[2-(3-methylbutoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methylbutoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
PubChem CID103779518
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC NameN-[2-(3-methylbutoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCCC1NCCOCCC(C)C
InChIInChI=1S/C14H29NOS/c1-12(2)8-10-16-11-9-15-13-6-4-5-7-14(13)17-3/h12-15H,4-11H2,1-3H3
InChIKeyGYGMXOTVJNSHHX-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 115712458
N-(4-methylpentyl)-2-methylsulfanylcyclopentan-1-amine
CID 102672397
2-(chloromethyl)-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine
CID 106365230
N-[2-(3-methylbutoxy)ethyl]cyclopentanamine
CID 61483822
N-(2-methylpropyl)-2-methylsulfanylcyclopentan-1-amine
CID 103880670
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103931438
2-methylsulfanyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine
CID 115894507
2-methylsulfanyl-N-propylcyclododecan-1-amine
CID 64628691
2,2-dimethyl-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine
CID 79834768
N-(cyclopentylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 115712400
N-(3-methylbutyl)-2-[(2-methylsulfanylcyclopentyl)amino]acetamide
CID 114121621
N-(cyclohexylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 103775456

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-[2-(3-methylbutoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine (CID 103779518) is N-[2-(3-methylbutoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(3-methylbutoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-[2-(3-methylbutoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine is CSC1CCCCC1NCCOCCC(C)C.
What is the InChIKey of N-[2-(3-methylbutoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine?
The InChIKey is GYGMXOTVJNSHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-12(2)8-10-16-11-9-15-13-6-4-5-7-14(13)17-3/h12-15H,4-11H2,1-3H3.
What are the key properties of N-[2-(3-methylbutoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine?
N-[2-(3-methylbutoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine has a molecular weight of 259.46 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 103779518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).