N-(butyldisulfanyl)-N-propan-2-ylpropan-2-amine

C10H23NS2 — CID 89300464

IUPACN-(butyldisulfanyl)-N-propan-2-ylpropan-2-amine
SMILESCCCCSSN(C(C)C)C(C)C
InChIInChI=1S/C10H23NS2/c1-6-7-8-12-13-11(9(2)3)10(4)5/h9-10H,6-8H2,1-5H3
InChIKeyROLOBHGDRPBEHD-UHFFFAOYSA-N
MW221.43 g/mol
LogP4.20
Rot. Bonds7

About N-(butyldisulfanyl)-N-propan-2-ylpropan-2-amine

N-(butyldisulfanyl)-N-propan-2-ylpropan-2-amine (PubChem CID 89300464) has the molecular formula C10H23NS2 and a molecular weight of 221.43 g/mol. Its IUPAC name is N-(butyldisulfanyl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(butyldisulfanyl)-N-propan-2-ylpropan-2-amine
PubChem CID89300464
Molecular FormulaC10H23NS2
Molecular Weight221.43 g/mol
Exact Mass221.13
IUPAC NameN-(butyldisulfanyl)-N-propan-2-ylpropan-2-amine
SMILESCCCCSSN(C(C)C)C(C)C
InChIInChI=1S/C10H23NS2/c1-6-7-8-12-13-11(9(2)3)10(4)5/h9-10H,6-8H2,1-5H3
InChIKeyROLOBHGDRPBEHD-UHFFFAOYSA-N
XLogP4.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.43
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diisopropylaminoethanethiol
CID 111102
1-Propanesulfenamide, N,N-dipropyl-
CID 3030905
N-Ethyl-N-(propylsulfanyl)ethanamine
CID 13142419
N-butylsulfanyl-N-ethylethanamine
CID 13152232
1-[Di(propan-2-yl)amino]ethanethiol
CID 22242606
2-[Di(propan-2-yl)amino]ethanethiolate
CID 134944833
3-(disulfanyl)-N-methyl-N-propan-2-ylpropan-1-amine
CID 163677722
Diisopropylamino ethyl sulfide
CID 569001
2-Diisopropylaminoethyl ethyl disulfide
CID 575117
N-methylsulfanyl-N-propan-2-ylpropan-2-amine
CID 15026667
N,N-diethylpropane-2-sulfenamide
CID 14689857
Dithiolan-4-yl-diethyl-methylazanium
CID 35707

Frequently Asked Questions

What is the IUPAC name of N-(butyldisulfanyl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-(butyldisulfanyl)-N-propan-2-ylpropan-2-amine (CID 89300464) is N-(butyldisulfanyl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-(butyldisulfanyl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-(butyldisulfanyl)-N-propan-2-ylpropan-2-amine is CCCCSSN(C(C)C)C(C)C.
What is the InChIKey of N-(butyldisulfanyl)-N-propan-2-ylpropan-2-amine?
The InChIKey is ROLOBHGDRPBEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS2/c1-6-7-8-12-13-11(9(2)3)10(4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of N-(butyldisulfanyl)-N-propan-2-ylpropan-2-amine?
N-(butyldisulfanyl)-N-propan-2-ylpropan-2-amine has a molecular weight of 221.43 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butyldisulfanyl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 89300464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).