N'-(disulfanylmethyl)-N,N'-dimethyl-N-(2-methylpropyl)propane-1,3-diamine

C10H24N2S2 — CID 138727017

IUPACN'-(disulfanylmethyl)-N,N'-dimethyl-N-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CN(C)CCCN(C)CSS
InChIInChI=1S/C10H24N2S2/c1-10(2)8-11(3)6-5-7-12(4)9-14-13/h10,13H,5-9H2,1-4H3
InChIKeyDKTMJXRTDTVRTC-UHFFFAOYSA-N
MW236.45 g/mol
LogP2.43
Rot. Bonds8

About N'-(disulfanylmethyl)-N,N'-dimethyl-N-(2-methylpropyl)propane-1,3-diamine

N'-(disulfanylmethyl)-N,N'-dimethyl-N-(2-methylpropyl)propane-1,3-diamine (PubChem CID 138727017) has the molecular formula C10H24N2S2 and a molecular weight of 236.45 g/mol. Its IUPAC name is N'-(disulfanylmethyl)-N,N'-dimethyl-N-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(disulfanylmethyl)-N,N'-dimethyl-N-(2-methylpropyl)propane-1,3-diamine
PubChem CID138727017
Molecular FormulaC10H24N2S2
Molecular Weight236.45 g/mol
Exact Mass236.14
IUPAC NameN'-(disulfanylmethyl)-N,N'-dimethyl-N-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CN(C)CCCN(C)CSS
InChIInChI=1S/C10H24N2S2/c1-10(2)8-11(3)6-5-7-12(4)9-14-13/h10,13H,5-9H2,1-4H3
InChIKeyDKTMJXRTDTVRTC-UHFFFAOYSA-N
XLogP2.43
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(disulfanylmethyl)-N,N'-dimethyl-N-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N'-(disulfanylmethyl)-N,N'-dimethyl-N-(2-methylpropyl)propane-1,3-diamine (CID 138727017) is N'-(disulfanylmethyl)-N,N'-dimethyl-N-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-(disulfanylmethyl)-N,N'-dimethyl-N-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-(disulfanylmethyl)-N,N'-dimethyl-N-(2-methylpropyl)propane-1,3-diamine is CC(C)CN(C)CCCN(C)CSS.
What is the InChIKey of N'-(disulfanylmethyl)-N,N'-dimethyl-N-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is DKTMJXRTDTVRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2S2/c1-10(2)8-11(3)6-5-7-12(4)9-14-13/h10,13H,5-9H2,1-4H3.
What are the key properties of N'-(disulfanylmethyl)-N,N'-dimethyl-N-(2-methylpropyl)propane-1,3-diamine?
N'-(disulfanylmethyl)-N,N'-dimethyl-N-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 236.45 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(disulfanylmethyl)-N,N'-dimethyl-N-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 138727017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).