N-cyclopropyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine

C11H24N2S — CID 112665474

IUPACN-cyclopropyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine
SMILESCSCCN(C)CCCCNC1CC1
InChIInChI=1S/C11H24N2S/c1-13(9-10-14-2)8-4-3-7-12-11-5-6-11/h11-12H,3-10H2,1-2H3
InChIKeyFGLZNISZAYXCKV-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.81
Rot. Bonds9

About N-cyclopropyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine

N-cyclopropyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine (PubChem CID 112665474) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is N-cyclopropyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine
PubChem CID112665474
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC NameN-cyclopropyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine
SMILESCSCCN(C)CCCCNC1CC1
InChIInChI=1S/C11H24N2S/c1-13(9-10-14-2)8-4-3-7-12-11-5-6-11/h11-12H,3-10H2,1-2H3
InChIKeyFGLZNISZAYXCKV-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.81
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-cyclopentyl-N'-methyl-N'-(2-methylsulfanylethyl)propane-1,3-diamine
CID 112666095
N-cyclopropyl-N'-methyl-N'-pentylbutane-1,4-diamine
CID 62420379
N-(3-methylsulfanylpropyl)cyclopropanamine
CID 28607191
N-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine
CID 112665952
N'-(cyclohexylmethyl)-N-cyclopropyl-N'-methylbutane-1,4-diamine
CID 62412368
N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine
CID 72665446
4-(3-methylsulfanylpropylamino)cyclohexan-1-ol
CID 28615263
4-methoxy-N-(4-methylsulfanylbutyl)cyclohexan-1-amine
CID 104530252
N-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 114125031
N-(3-methylsulfanylpropyl)cyclohexanamine
CID 28609981
N-cyclopropyl-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 60868035
N-cyclopentyl-N'-[3-(dimethylamino)propyl]-N'-methylpropane-1,3-diamine
CID 63726529

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine?
The IUPAC name of N-cyclopropyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine (CID 112665474) is N-cyclopropyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine.
What is the SMILES notation for N-cyclopropyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine?
The canonical SMILES for N-cyclopropyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine is CSCCN(C)CCCCNC1CC1.
What is the InChIKey of N-cyclopropyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine?
The InChIKey is FGLZNISZAYXCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-13(9-10-14-2)8-4-3-7-12-11-5-6-11/h11-12H,3-10H2,1-2H3.
What are the key properties of N-cyclopropyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine?
N-cyclopropyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine has a molecular weight of 216.39 g/mol, XLogP of 1.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine is sourced from PubChem (CID 112665474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).