N'-(dimethylamino-hydroxy-methyl-λ4-sulfanyl)-N-methyl-N'-propylethane-1,2-diamine

C9H25N3OS — CID 176959631

IUPACN'-(dimethylamino-hydroxy-methyl-λ4-sulfanyl)-N-methyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCNC)S(C)(O)N(C)C
InChIInChI=1S/C9H25N3OS/c1-6-8-12(9-7-10-2)14(5,13)11(3)4/h10,13H,6-9H2,1-5H3
InChIKeyKTNUDTPZMOGVEV-UHFFFAOYSA-N
MW223.39 g/mol
LogP1.22
Rot. Bonds7

About N'-(dimethylamino-hydroxy-methyl-λ4-sulfanyl)-N-methyl-N'-propylethane-1,2-diamine

N'-(dimethylamino-hydroxy-methyl-λ4-sulfanyl)-N-methyl-N'-propylethane-1,2-diamine (PubChem CID 176959631) has the molecular formula C9H25N3OS and a molecular weight of 223.39 g/mol. Its IUPAC name is N'-(dimethylamino-hydroxy-methyl-λ4-sulfanyl)-N-methyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(dimethylamino-hydroxy-methyl-λ4-sulfanyl)-N-methyl-N'-propylethane-1,2-diamine
PubChem CID176959631
Molecular FormulaC9H25N3OS
Molecular Weight223.39 g/mol
Exact Mass223.17
IUPAC NameN'-(dimethylamino-hydroxy-methyl-λ4-sulfanyl)-N-methyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCNC)S(C)(O)N(C)C
InChIInChI=1S/C9H25N3OS/c1-6-8-12(9-7-10-2)14(5,13)11(3)4/h10,13H,6-9H2,1-5H3
InChIKeyKTNUDTPZMOGVEV-UHFFFAOYSA-N
XLogP1.22
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-iodo-N-methyl-N'-propylethane-1,2-diamine
CID 126702167
N,N'-dimethyl-N'-propylethane-1,2-diamine;methane
CID 159586340
propane;N,N',N'-trimethylethane-1,2-diamine
CID 176717346
2-N,3-N,2,3-tetramethyl-2-N-[2-(methylamino)ethyl]-3-N-propylbutane-2,3-diamine
CID 145011873
N'-ethyl-N-methyl-N'-propylethane-1,2-diamine
CID 21015837
ethane;propane;N,N',N'-trimethylethane-1,2-diamine
CID 143559684
N-methylpropan-1-amine;sulfuric acid
CID 159819552
ethane;N'-ethyl-N,N'-dimethylethane-1,2-diamine;methanol
CID 144534922
N,N-dimethylmethanamine;methyl hydrogen sulfate;N-methylpropan-1-amine
CID 174472980
N,N-dimethyl-N'-[2-(methylamino)ethyl]-N'-propylpropane-1,3-diamine
CID 114525574
N-[2-(methylamino)ethyl]-N-pent-1-en-2-ylformamide
CID 134406609
N-methyl-N-[2-(methylamino)ethyl]decanamide
CID 65449488

Frequently Asked Questions

What is the IUPAC name of N'-(dimethylamino-hydroxy-methyl-λ4-sulfanyl)-N-methyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-(dimethylamino-hydroxy-methyl-λ4-sulfanyl)-N-methyl-N'-propylethane-1,2-diamine (CID 176959631) is N'-(dimethylamino-hydroxy-methyl-λ4-sulfanyl)-N-methyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-(dimethylamino-hydroxy-methyl-λ4-sulfanyl)-N-methyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-(dimethylamino-hydroxy-methyl-λ4-sulfanyl)-N-methyl-N'-propylethane-1,2-diamine is CCCN(CCNC)S(C)(O)N(C)C.
What is the InChIKey of N'-(dimethylamino-hydroxy-methyl-λ4-sulfanyl)-N-methyl-N'-propylethane-1,2-diamine?
The InChIKey is KTNUDTPZMOGVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H25N3OS/c1-6-8-12(9-7-10-2)14(5,13)11(3)4/h10,13H,6-9H2,1-5H3.
What are the key properties of N'-(dimethylamino-hydroxy-methyl-λ4-sulfanyl)-N-methyl-N'-propylethane-1,2-diamine?
N'-(dimethylamino-hydroxy-methyl-λ4-sulfanyl)-N-methyl-N'-propylethane-1,2-diamine has a molecular weight of 223.39 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(dimethylamino-hydroxy-methyl-λ4-sulfanyl)-N-methyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 176959631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).