N-[[4-methyl-2-(3-methylsulfanylpropyl)cyclohexyl]methyl]cyclopropanamine

C15H29NS — CID 113474785

IUPACN-[[4-methyl-2-(3-methylsulfanylpropyl)cyclohexyl]methyl]cyclopropanamine
SMILESCSCCCC1CC(C)CCC1CNC1CC1
InChIInChI=1S/C15H29NS/c1-12-5-6-14(11-16-15-7-8-15)13(10-12)4-3-9-17-2/h12-16H,3-11H2,1-2H3
InChIKeyPUBNITLODOTDHN-UHFFFAOYSA-N
MW255.47 g/mol
LogP3.93
Rot. Bonds7

About N-[[4-methyl-2-(3-methylsulfanylpropyl)cyclohexyl]methyl]cyclopropanamine

N-[[4-methyl-2-(3-methylsulfanylpropyl)cyclohexyl]methyl]cyclopropanamine (PubChem CID 113474785) has the molecular formula C15H29NS and a molecular weight of 255.47 g/mol. Its IUPAC name is N-[[4-methyl-2-(3-methylsulfanylpropyl)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-(3-methylsulfanylpropyl)cyclohexyl]methyl]cyclopropanamine
PubChem CID113474785
Molecular FormulaC15H29NS
Molecular Weight255.47 g/mol
Exact Mass255.20
IUPAC NameN-[[4-methyl-2-(3-methylsulfanylpropyl)cyclohexyl]methyl]cyclopropanamine
SMILESCSCCCC1CC(C)CCC1CNC1CC1
InChIInChI=1S/C15H29NS/c1-12-5-6-14(11-16-15-7-8-15)13(10-12)4-3-9-17-2/h12-16H,3-11H2,1-2H3
InChIKeyPUBNITLODOTDHN-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.47
LogP ≤ 53.93
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-[[2-(3,3-dimethylbutyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031901
N-[[4-methyl-2-(3-methylbutyl)cyclohexyl]methyl]cyclopropanamine
CID 81032509
N-[[4-methyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]cyclopropanamine
CID 114477751
N-[[2-(methoxymethyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81032436
N-[(2-octylcyclobutyl)methyl]cyclopropanamine
CID 81017226
N-[[2-(3-ethylsulfanylpropyl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 113474781
N-[(2-tert-butyl-4-methylcyclohexyl)methyl]cyclopropanamine
CID 81031457
N-[(2-hexyl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
CID 81030673
N-[[2-(3,5-dimethylcyclohexyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81032057
N-methyl-1-(4-methyl-2-nonylcyclohexyl)methanamine
CID 81025245
N-(3-methylsulfanylpropyl)cyclopropanamine
CID 28607191
N-[[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 81031760

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(3-methylsulfanylpropyl)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-methyl-2-(3-methylsulfanylpropyl)cyclohexyl]methyl]cyclopropanamine (CID 113474785) is N-[[4-methyl-2-(3-methylsulfanylpropyl)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-methyl-2-(3-methylsulfanylpropyl)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-methyl-2-(3-methylsulfanylpropyl)cyclohexyl]methyl]cyclopropanamine is CSCCCC1CC(C)CCC1CNC1CC1.
What is the InChIKey of N-[[4-methyl-2-(3-methylsulfanylpropyl)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is PUBNITLODOTDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NS/c1-12-5-6-14(11-16-15-7-8-15)13(10-12)4-3-9-17-2/h12-16H,3-11H2,1-2H3.
What are the key properties of N-[[4-methyl-2-(3-methylsulfanylpropyl)cyclohexyl]methyl]cyclopropanamine?
N-[[4-methyl-2-(3-methylsulfanylpropyl)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 255.47 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(3-methylsulfanylpropyl)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 113474785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).