N,N,N'-trimethyl-N'-(2-methyl-2-nitrososulfanylpropyl)propane-1,3-diamine

C10H23N3OS — CID 102290021

IUPACN,N,N'-trimethyl-N'-(2-methyl-2-nitrososulfanylpropyl)propane-1,3-diamine
SMILESCN(C)CCCN(C)CC(C)(C)SN=O
InChIInChI=1S/C10H23N3OS/c1-10(2,15-11-14)9-13(5)8-6-7-12(3)4/h6-9H2,1-5H3
InChIKeyAUVOUIWSLLKDIT-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.06
Rot. Bonds8

About N,N,N'-trimethyl-N'-(2-methyl-2-nitrososulfanylpropyl)propane-1,3-diamine

N,N,N'-trimethyl-N'-(2-methyl-2-nitrososulfanylpropyl)propane-1,3-diamine (PubChem CID 102290021) has the molecular formula C10H23N3OS and a molecular weight of 233.38 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-(2-methyl-2-nitrososulfanylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-(2-methyl-2-nitrososulfanylpropyl)propane-1,3-diamine
PubChem CID102290021
Molecular FormulaC10H23N3OS
Molecular Weight233.38 g/mol
Exact Mass233.16
IUPAC NameN,N,N'-trimethyl-N'-(2-methyl-2-nitrososulfanylpropyl)propane-1,3-diamine
SMILESCN(C)CCCN(C)CC(C)(C)SN=O
InChIInChI=1S/C10H23N3OS/c1-10(2,15-11-14)9-13(5)8-6-7-12(3)4/h6-9H2,1-5H3
InChIKeyAUVOUIWSLLKDIT-UHFFFAOYSA-N
XLogP2.06
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-(2-methyl-2-nitrososulfanylpropyl)propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-(2-methyl-2-nitrososulfanylpropyl)propane-1,3-diamine (CID 102290021) is N,N,N'-trimethyl-N'-(2-methyl-2-nitrososulfanylpropyl)propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-(2-methyl-2-nitrososulfanylpropyl)propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-(2-methyl-2-nitrososulfanylpropyl)propane-1,3-diamine is CN(C)CCCN(C)CC(C)(C)SN=O.
What is the InChIKey of N,N,N'-trimethyl-N'-(2-methyl-2-nitrososulfanylpropyl)propane-1,3-diamine?
The InChIKey is AUVOUIWSLLKDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3OS/c1-10(2,15-11-14)9-13(5)8-6-7-12(3)4/h6-9H2,1-5H3.
What are the key properties of N,N,N'-trimethyl-N'-(2-methyl-2-nitrososulfanylpropyl)propane-1,3-diamine?
N,N,N'-trimethyl-N'-(2-methyl-2-nitrososulfanylpropyl)propane-1,3-diamine has a molecular weight of 233.38 g/mol, XLogP of 2.06, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-(2-methyl-2-nitrososulfanylpropyl)propane-1,3-diamine is sourced from PubChem (CID 102290021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).