N',N'-dimethyl-N-(2-methylthiolan-3-yl)butane-1,4-diamine

C11H24N2S — CID 102671776

IUPACN',N'-dimethyl-N-(2-methylthiolan-3-yl)butane-1,4-diamine
SMILESCC1SCCC1NCCCCN(C)C
InChIInChI=1S/C11H24N2S/c1-10-11(6-9-14-10)12-7-4-5-8-13(2)3/h10-12H,4-9H2,1-3H3
InChIKeyDBJXNKDOCIUANU-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.81
Rot. Bonds6

About N',N'-dimethyl-N-(2-methylthiolan-3-yl)butane-1,4-diamine

N',N'-dimethyl-N-(2-methylthiolan-3-yl)butane-1,4-diamine (PubChem CID 102671776) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2-methylthiolan-3-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2-methylthiolan-3-yl)butane-1,4-diamine
PubChem CID102671776
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC NameN',N'-dimethyl-N-(2-methylthiolan-3-yl)butane-1,4-diamine
SMILESCC1SCCC1NCCCCN(C)C
InChIInChI=1S/C11H24N2S/c1-10-11(6-9-14-10)12-7-4-5-8-13(2)3/h10-12H,4-9H2,1-3H3
InChIKeyDBJXNKDOCIUANU-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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',N'-diethyl-N-(2-methylthiolan-3-yl)propane-1,3-diamine
CID 102672813
N'-methyl-N-(2-methylthiolan-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 102671868
2-methyl-N-octylthian-3-amine
CID 115567011
N'-(2-methylthian-3-yl)butane-1,4-diamine
CID 79957665
N'-cyclopropyl-N'-methyl-N-(2-methylthian-3-yl)ethane-1,2-diamine
CID 79956873
2-methyl-N-(2-methylsulfinylethyl)thiolan-3-amine
CID 102672329
tert-butyl N-ethyl-N-[3-[(2-methylthiolan-3-yl)amino]propyl]carbamate
CID 102672059
N',N'-dimethyl-N-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine
CID 96923135
2-methyl-N-(4-propan-2-yloxybutyl)thian-3-amine
CID 106007631
N-[2-(azepan-1-yl)ethyl]-2-methylthiolan-3-amine
CID 102671482
2-methyl-N-[2-(2-methylpropoxy)ethyl]thiolan-3-amine
CID 102671626
2-methyl-N-[(2-methylcyclopropyl)methyl]thiolan-3-amine
CID 102671571

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(2-methylthiolan-3-yl)butane-1,4-diamine?
The IUPAC name of N',N'-dimethyl-N-(2-methylthiolan-3-yl)butane-1,4-diamine (CID 102671776) is N',N'-dimethyl-N-(2-methylthiolan-3-yl)butane-1,4-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2-methylthiolan-3-yl)butane-1,4-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2-methylthiolan-3-yl)butane-1,4-diamine is CC1SCCC1NCCCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-(2-methylthiolan-3-yl)butane-1,4-diamine?
The InChIKey is DBJXNKDOCIUANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-10-11(6-9-14-10)12-7-4-5-8-13(2)3/h10-12H,4-9H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-(2-methylthiolan-3-yl)butane-1,4-diamine?
N',N'-dimethyl-N-(2-methylthiolan-3-yl)butane-1,4-diamine has a molecular weight of 216.39 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(2-methylthiolan-3-yl)butane-1,4-diamine is sourced from PubChem (CID 102671776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).