4-[4-(disulfanylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethyl-N-propan-2-ylpentan-2-amine

C17H38N2OS2 — CID 155205046

IUPAC4-[4-(disulfanylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethyl-N-propan-2-ylpentan-2-amine
SMILESCC(C)NC(C)(C)CC(C)(C)OC(C)(C)CC(C)(C)NSS
InChIInChI=1S/C17H38N2OS2/c1-13(2)18-14(3,4)11-16(7,8)20-17(9,10)12-15(5,6)19-22-21/h13,18-19,21H,11-12H2,1-10H3
InChIKeyBTWPWZQJHYMNFS-UHFFFAOYSA-N
MW350.64 g/mol
LogP4.98
Rot. Bonds10

About 4-[4-(disulfanylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethyl-N-propan-2-ylpentan-2-amine

4-[4-(disulfanylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethyl-N-propan-2-ylpentan-2-amine (PubChem CID 155205046) has the molecular formula C17H38N2OS2 and a molecular weight of 350.64 g/mol. Its IUPAC name is 4-[4-(disulfanylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethyl-N-propan-2-ylpentan-2-amine.

Molecular Properties

Compound Name4-[4-(disulfanylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethyl-N-propan-2-ylpentan-2-amine
PubChem CID155205046
Molecular FormulaC17H38N2OS2
Molecular Weight350.64 g/mol
Exact Mass350.24
IUPAC Name4-[4-(disulfanylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethyl-N-propan-2-ylpentan-2-amine
SMILESCC(C)NC(C)(C)CC(C)(C)OC(C)(C)CC(C)(C)NSS
InChIInChI=1S/C17H38N2OS2/c1-13(2)18-14(3,4)11-16(7,8)20-17(9,10)12-15(5,6)19-22-21/h13,18-19,21H,11-12H2,1-10H3
InChIKeyBTWPWZQJHYMNFS-UHFFFAOYSA-N
XLogP4.98
TPSA33.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.64
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4-[4-(disulfanylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethyl-N-propan-2-ylpentan-2-amine with MolForge

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Related Compounds

2-N,2,4-trimethyl-4-N-propan-2-ylpentane-2,4-diamine
CID 170208010
1-(1-fluoroethoxy)-2-methyl-N-propan-2-ylpropan-2-amine
CID 158734827
2-N,2,4-trimethyl-2-N,4-N-di(propan-2-yl)pentane-2,4-diamine
CID 146200447
3,3,5-trimethyl-5-(propan-2-ylamino)hexan-2-one
CID 164974261
2,4-dimethyl-N-propan-2-yl-4-(4-propan-2-yloxyphenyl)pentan-2-amine
CID 166818197
N,N-bis[2,4-dimethyl-4-(propan-2-ylamino)pentan-2-yl]acetamide
CID 155175016
4-(2,3-dimethylbutan-2-yloxy)-2-methyl-N-propan-2-ylbutan-2-amine
CID 170223007
6-ethyl-2,4,4,7,7,9-hexamethyl-N-propan-2-yl-5-(2,4,4-trimethylpentan-2-yl)undecan-2-amine
CID 146572754
4-[4-(dimethylamino)-2-methylbutan-2-yl]oxy-2-methyl-N-propan-2-ylbutan-2-amine
CID 170237295
1,2-dichloro-N-propan-2-ylpropan-2-amine;phosphane
CID 160903249
4-methoxy-2,4-dimethyl-2-(propan-2-ylamino)pentanamide
CID 60788184
2-methyl-6-N-[(2-methylpropan-2-yl)oxy]-2-N-propan-2-ylheptane-2,6-diamine
CID 166970241

Frequently Asked Questions

What is the IUPAC name of 4-[4-(disulfanylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethyl-N-propan-2-ylpentan-2-amine?
The IUPAC name of 4-[4-(disulfanylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethyl-N-propan-2-ylpentan-2-amine (CID 155205046) is 4-[4-(disulfanylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethyl-N-propan-2-ylpentan-2-amine.
What is the SMILES notation for 4-[4-(disulfanylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethyl-N-propan-2-ylpentan-2-amine?
The canonical SMILES for 4-[4-(disulfanylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethyl-N-propan-2-ylpentan-2-amine is CC(C)NC(C)(C)CC(C)(C)OC(C)(C)CC(C)(C)NSS.
What is the InChIKey of 4-[4-(disulfanylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethyl-N-propan-2-ylpentan-2-amine?
The InChIKey is BTWPWZQJHYMNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2OS2/c1-13(2)18-14(3,4)11-16(7,8)20-17(9,10)12-15(5,6)19-22-21/h13,18-19,21H,11-12H2,1-10H3.
What are the key properties of 4-[4-(disulfanylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethyl-N-propan-2-ylpentan-2-amine?
4-[4-(disulfanylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethyl-N-propan-2-ylpentan-2-amine has a molecular weight of 350.64 g/mol, XLogP of 4.98, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(disulfanylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethyl-N-propan-2-ylpentan-2-amine is sourced from PubChem (CID 155205046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).