N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-methyl-1-methylsulfanylpropan-2-amine

C14H30N2S — CID 113440269

IUPACN-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-methyl-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)N(C)CCC1(CN)CCCCC1
InChIInChI=1S/C14H30N2S/c1-13(11-17-3)16(2)10-9-14(12-15)7-5-4-6-8-14/h13H,4-12,15H2,1-3H3
InChIKeyCDANRAJZZHIJJH-UHFFFAOYSA-N
MW258.47 g/mol
LogP2.97
Rot. Bonds7

About N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-methyl-1-methylsulfanylpropan-2-amine

N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-methyl-1-methylsulfanylpropan-2-amine (PubChem CID 113440269) has the molecular formula C14H30N2S and a molecular weight of 258.47 g/mol. Its IUPAC name is N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-methyl-1-methylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-methyl-1-methylsulfanylpropan-2-amine
PubChem CID113440269
Molecular FormulaC14H30N2S
Molecular Weight258.47 g/mol
Exact Mass258.21
IUPAC NameN-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-methyl-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)N(C)CCC1(CN)CCCCC1
InChIInChI=1S/C14H30N2S/c1-13(11-17-3)16(2)10-9-14(12-15)7-5-4-6-8-14/h13H,4-12,15H2,1-3H3
InChIKeyCDANRAJZZHIJJH-UHFFFAOYSA-N
XLogP2.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-1-methoxy-N-methylpropan-2-amine
CID 104678800
N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2-methylpropyl)pentan-3-amine
CID 104678976
N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112665025
N-methyl-1-methylsulfanyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propan-2-amine
CID 112664977
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-propan-2-ylpentan-1-amine
CID 81170250
N-[[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
CID 112664935
1-[2-[butan-2-yl(methyl)amino]ethyl]cyclohexan-1-amine
CID 64679108
2-(1-ethylcyclohexyl)-N,N-dimethylethanamine
CID 143122027
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N,2-dimethylbutan-2-amine
CID 81169937
(1-ethylcyclooctyl)methanamine
CID 80604065
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylcyclohexanamine
CID 81169270
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 81171018

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-methyl-1-methylsulfanylpropan-2-amine?
The IUPAC name of N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-methyl-1-methylsulfanylpropan-2-amine (CID 113440269) is N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-methyl-1-methylsulfanylpropan-2-amine.
What is the SMILES notation for N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-methyl-1-methylsulfanylpropan-2-amine?
The canonical SMILES for N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-methyl-1-methylsulfanylpropan-2-amine is CSCC(C)N(C)CCC1(CN)CCCCC1.
What is the InChIKey of N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-methyl-1-methylsulfanylpropan-2-amine?
The InChIKey is CDANRAJZZHIJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2S/c1-13(11-17-3)16(2)10-9-14(12-15)7-5-4-6-8-14/h13H,4-12,15H2,1-3H3.
What are the key properties of N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-methyl-1-methylsulfanylpropan-2-amine?
N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-methyl-1-methylsulfanylpropan-2-amine has a molecular weight of 258.47 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-methyl-1-methylsulfanylpropan-2-amine is sourced from PubChem (CID 113440269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).