N-(3-methylsulfanylpropyl)cyclohexanamine

C10H21NS — CID 28609981

IUPACN-(3-methylsulfanylpropyl)cyclohexanamine
SMILESCSCCCNC1CCCCC1
InChIInChI=1S/C10H21NS/c1-12-9-5-8-11-10-6-3-2-4-7-10/h10-11H,2-9H2,1H3
InChIKeyGAVPARIQULQYON-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.66
Rot. Bonds5

About N-(3-methylsulfanylpropyl)cyclohexanamine

N-(3-methylsulfanylpropyl)cyclohexanamine (PubChem CID 28609981) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)cyclohexanamine.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)cyclohexanamine
PubChem CID28609981
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameN-(3-methylsulfanylpropyl)cyclohexanamine
SMILESCSCCCNC1CCCCC1
InChIInChI=1S/C10H21NS/c1-12-9-5-8-11-10-6-3-2-4-7-10/h10-11H,2-9H2,1H3
InChIKeyGAVPARIQULQYON-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylsulfanylpropyl)cyclopropanamine
CID 28607191
4-(3-methylsulfanylpropylamino)cyclohexan-1-ol
CID 28615263
N-(3-ethylsulfanylpropyl)cyclohexanamine
CID 62577534
1-N-(3-methylsulfanylpropyl)cyclohexane-1,3-diamine
CID 79459469
N-cyclopentyl-N'-methyl-N'-(2-methylsulfanylethyl)propane-1,3-diamine
CID 112666095
2-cyclohexyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine
CID 63983395
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylpentanamide;hydrochloride
CID 119619696
1-methyl-N-(5-methylsulfanylpentyl)azepan-4-amine
CID 104926411
N-(3-methylsulfanylpropyl)-1-propan-2-ylpiperidin-4-amine
CID 28717328
3-methyl-N-(4-methylsulfanylbutyl)cyclohexan-1-amine
CID 115654251
3-(4-methylsulfanylbutylamino)cyclohexan-1-ol
CID 103087761

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylpropyl)cyclohexanamine?
The IUPAC name of N-(3-methylsulfanylpropyl)cyclohexanamine (CID 28609981) is N-(3-methylsulfanylpropyl)cyclohexanamine.
What is the SMILES notation for N-(3-methylsulfanylpropyl)cyclohexanamine?
The canonical SMILES for N-(3-methylsulfanylpropyl)cyclohexanamine is CSCCCNC1CCCCC1.
What is the InChIKey of N-(3-methylsulfanylpropyl)cyclohexanamine?
The InChIKey is GAVPARIQULQYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-12-9-5-8-11-10-6-3-2-4-7-10/h10-11H,2-9H2,1H3.
What are the key properties of N-(3-methylsulfanylpropyl)cyclohexanamine?
N-(3-methylsulfanylpropyl)cyclohexanamine has a molecular weight of 187.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)cyclohexanamine is sourced from PubChem (CID 28609981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).