N'-[(1-methylsulfanylcyclohexyl)methyl]-2-propan-2-ylpropane-1,3-diamine

C14H30N2S — CID 114116050

IUPACN'-[(1-methylsulfanylcyclohexyl)methyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCSC1(CNCC(CN)C(C)C)CCCCC1
InChIInChI=1S/C14H30N2S/c1-12(2)13(9-15)10-16-11-14(17-3)7-5-4-6-8-14/h12-13,16H,4-11,15H2,1-3H3
InChIKeyCWWKJFSIRSZGOU-UHFFFAOYSA-N
MW258.47 g/mol
LogP2.87
Rot. Bonds7

About N'-[(1-methylsulfanylcyclohexyl)methyl]-2-propan-2-ylpropane-1,3-diamine

N'-[(1-methylsulfanylcyclohexyl)methyl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 114116050) has the molecular formula C14H30N2S and a molecular weight of 258.47 g/mol. Its IUPAC name is N'-[(1-methylsulfanylcyclohexyl)methyl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(1-methylsulfanylcyclohexyl)methyl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID114116050
Molecular FormulaC14H30N2S
Molecular Weight258.47 g/mol
Exact Mass258.21
IUPAC NameN'-[(1-methylsulfanylcyclohexyl)methyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCSC1(CNCC(CN)C(C)C)CCCCC1
InChIInChI=1S/C14H30N2S/c1-12(2)13(9-15)10-16-11-14(17-3)7-5-4-6-8-14/h12-13,16H,4-11,15H2,1-3H3
InChIKeyCWWKJFSIRSZGOU-UHFFFAOYSA-N
XLogP2.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.47
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]cycloheptan-1-ol
CID 107442354
N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-propan-2-ylpropane-1,3-diamine
CID 107442883
N'-[2-amino-2-(1-methylcyclononyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 134220096
N'-(1-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
CID 65233135
1-amino-N-[(1-methylsulfanylcyclohexyl)methyl]propane-2-sulfonamide
CID 106092399
1-[1-(2-methylpropyl)cyclopentyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 114269796
1-(aminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]cyclobutane-1-carboxamide
CID 114116201
1-cyclohexyl-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107266985
4-amino-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
CID 114142631
1-(4-ethylphenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
CID 114115868
3-amino-2-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide
CID 106114336
3-methoxy-3-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]butan-2-amine
CID 114228293

Frequently Asked Questions

What is the IUPAC name of N'-[(1-methylsulfanylcyclohexyl)methyl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[(1-methylsulfanylcyclohexyl)methyl]-2-propan-2-ylpropane-1,3-diamine (CID 114116050) is N'-[(1-methylsulfanylcyclohexyl)methyl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[(1-methylsulfanylcyclohexyl)methyl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[(1-methylsulfanylcyclohexyl)methyl]-2-propan-2-ylpropane-1,3-diamine is CSC1(CNCC(CN)C(C)C)CCCCC1.
What is the InChIKey of N'-[(1-methylsulfanylcyclohexyl)methyl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is CWWKJFSIRSZGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2S/c1-12(2)13(9-15)10-16-11-14(17-3)7-5-4-6-8-14/h12-13,16H,4-11,15H2,1-3H3.
What are the key properties of N'-[(1-methylsulfanylcyclohexyl)methyl]-2-propan-2-ylpropane-1,3-diamine?
N'-[(1-methylsulfanylcyclohexyl)methyl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 258.47 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-methylsulfanylcyclohexyl)methyl]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 114116050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).