N-[(tert-butylamino)-bis(prop-2-enyl)-λ4-sulfanyl]-2-methylpropan-2-amine

C14H30N2S — CID 170209973

IUPACN-[(tert-butylamino)-bis(prop-2-enyl)-λ4-sulfanyl]-2-methylpropan-2-amine
SMILESC=CCS(CC=C)(NC(C)(C)C)NC(C)(C)C
InChIInChI=1S/C14H30N2S/c1-9-11-17(12-10-2,15-13(3,4)5)16-14(6,7)8/h9-10,15-16H,1-2,11-12H2,3-8H3
InChIKeyVDJSAGTUCUSKMF-UHFFFAOYSA-N
MW258.48 g/mol
LogP3.77
Rot. Bonds6

About N-[(tert-butylamino)-bis(prop-2-enyl)-λ4-sulfanyl]-2-methylpropan-2-amine

N-[(tert-butylamino)-bis(prop-2-enyl)-λ4-sulfanyl]-2-methylpropan-2-amine (PubChem CID 170209973) has the molecular formula C14H30N2S and a molecular weight of 258.48 g/mol. Its IUPAC name is N-[(tert-butylamino)-bis(prop-2-enyl)-λ4-sulfanyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(tert-butylamino)-bis(prop-2-enyl)-λ4-sulfanyl]-2-methylpropan-2-amine
PubChem CID170209973
Molecular FormulaC14H30N2S
Molecular Weight258.48 g/mol
Exact Mass258.21
IUPAC NameN-[(tert-butylamino)-bis(prop-2-enyl)-λ4-sulfanyl]-2-methylpropan-2-amine
SMILESC=CCS(CC=C)(NC(C)(C)C)NC(C)(C)C
InChIInChI=1S/C14H30N2S/c1-9-11-17(12-10-2,15-13(3,4)5)16-14(6,7)8/h9-10,15-16H,1-2,11-12H2,3-8H3
InChIKeyVDJSAGTUCUSKMF-UHFFFAOYSA-N
XLogP3.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-prop-2-enylsulfonylpropanoic acid
CID 82180724
chloromethane;prop-2-ene-1-sulfonamide
CID 174937700
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]prop-2-ene-1-sulfonamide
CID 107866738
N-[tris(prop-2-enyl)-λ4-sulfanyl]propan-1-amine
CID 170210028
chloro-tris(prop-2-enyl)-λ4-sulfane
CID 139919519
N-(2-tert-butylsulfonylethyl)prop-2-en-1-amine
CID 103710245
sodium;ethene;prop-2-ene-1-sulfonate
CID 174838535
3-(tert-butylsulfamoyl)-4-chloro-N,N-bis(prop-2-enyl)benzamide
CID 30878670
N-tert-butylocta-3,7-dien-1-amine
CID 79599295
1-N'-tert-butyl-1-N-prop-2-enylethene-1,1-diamine
CID 118258790
2-methyl-N-[[5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62442463
benzene;tert-butylsulfamic acid
CID 67910902

Frequently Asked Questions

What is the IUPAC name of N-[(tert-butylamino)-bis(prop-2-enyl)-λ4-sulfanyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(tert-butylamino)-bis(prop-2-enyl)-λ4-sulfanyl]-2-methylpropan-2-amine (CID 170209973) is N-[(tert-butylamino)-bis(prop-2-enyl)-λ4-sulfanyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(tert-butylamino)-bis(prop-2-enyl)-λ4-sulfanyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(tert-butylamino)-bis(prop-2-enyl)-λ4-sulfanyl]-2-methylpropan-2-amine is C=CCS(CC=C)(NC(C)(C)C)NC(C)(C)C.
What is the InChIKey of N-[(tert-butylamino)-bis(prop-2-enyl)-λ4-sulfanyl]-2-methylpropan-2-amine?
The InChIKey is VDJSAGTUCUSKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2S/c1-9-11-17(12-10-2,15-13(3,4)5)16-14(6,7)8/h9-10,15-16H,1-2,11-12H2,3-8H3.
What are the key properties of N-[(tert-butylamino)-bis(prop-2-enyl)-λ4-sulfanyl]-2-methylpropan-2-amine?
N-[(tert-butylamino)-bis(prop-2-enyl)-λ4-sulfanyl]-2-methylpropan-2-amine has a molecular weight of 258.48 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(tert-butylamino)-bis(prop-2-enyl)-λ4-sulfanyl]-2-methylpropan-2-amine is sourced from PubChem (CID 170209973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).