N-[[dimethyl(prop-2-enyl)-λ4-sulfanyl]methyl]-2-methyl-N-propan-2-ylpent-4-en-2-amine

C15H31NS — CID 155296705

IUPACN-[[dimethyl(prop-2-enyl)-λ4-sulfanyl]methyl]-2-methyl-N-propan-2-ylpent-4-en-2-amine
SMILESC=CCC(C)(C)N(CS(C)(C)CC=C)C(C)C
InChIInChI=1S/C15H31NS/c1-9-11-15(5,6)16(14(3)4)13-17(7,8)12-10-2/h9-10,14H,1-2,11-13H2,3-8H3
InChIKeyWKBLGJDYPPSVBP-UHFFFAOYSA-N
MW257.49 g/mol
LogP4.26
Rot. Bonds8

About N-[[dimethyl(prop-2-enyl)-λ4-sulfanyl]methyl]-2-methyl-N-propan-2-ylpent-4-en-2-amine

N-[[dimethyl(prop-2-enyl)-λ4-sulfanyl]methyl]-2-methyl-N-propan-2-ylpent-4-en-2-amine (PubChem CID 155296705) has the molecular formula C15H31NS and a molecular weight of 257.49 g/mol. Its IUPAC name is N-[[dimethyl(prop-2-enyl)-λ4-sulfanyl]methyl]-2-methyl-N-propan-2-ylpent-4-en-2-amine.

Molecular Properties

Compound NameN-[[dimethyl(prop-2-enyl)-λ4-sulfanyl]methyl]-2-methyl-N-propan-2-ylpent-4-en-2-amine
PubChem CID155296705
Molecular FormulaC15H31NS
Molecular Weight257.49 g/mol
Exact Mass257.22
IUPAC NameN-[[dimethyl(prop-2-enyl)-λ4-sulfanyl]methyl]-2-methyl-N-propan-2-ylpent-4-en-2-amine
SMILESC=CCC(C)(C)N(CS(C)(C)CC=C)C(C)C
InChIInChI=1S/C15H31NS/c1-9-11-15(5,6)16(14(3)4)13-17(7,8)12-10-2/h9-10,14H,1-2,11-13H2,3-8H3
InChIKeyWKBLGJDYPPSVBP-UHFFFAOYSA-N
XLogP4.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.49
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[[dimethyl(prop-2-enyl)-λ4-sulfanyl]methyl]-2-methyl-N-propan-2-ylpent-4-en-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-N-[ethyl(dimethyl)-λ4-sulfanyl]pent-4-en-2-amine
CID 123327137
3,3-dimethylhex-5-en-2-amine
CID 130019272
lithium 4-methanidyl-4-methylpent-1-ene
CID 134840187
2-methylpent-4-en-2-yl-di(propan-2-yloxy)silane
CID 123440128
2-methyl-2-prop-2-enylsulfonylpropanoic acid
CID 82180724
4,5,5,5-tetrafluoro-4-methylpent-1-ene
CID 58901177
chloromethane;prop-2-ene-1-sulfonamide
CID 174937700
methane;N-methyl-N-(2-methyl-1-methylsulfonylpropan-2-yl)prop-2-enamide
CID 159896878
6-chloro-4,4-dimethylhept-1-ene
CID 64716425
2-[2-methylpropyl(prop-2-enylsulfonyl)amino]acetic acid
CID 79673279
4-ethenyl-4-propan-2-ylhepta-1,6-diene
CID 23385053
4-chloro-4-methylpent-1-ene
CID 14174361

Frequently Asked Questions

What is the IUPAC name of N-[[dimethyl(prop-2-enyl)-λ4-sulfanyl]methyl]-2-methyl-N-propan-2-ylpent-4-en-2-amine?
The IUPAC name of N-[[dimethyl(prop-2-enyl)-λ4-sulfanyl]methyl]-2-methyl-N-propan-2-ylpent-4-en-2-amine (CID 155296705) is N-[[dimethyl(prop-2-enyl)-λ4-sulfanyl]methyl]-2-methyl-N-propan-2-ylpent-4-en-2-amine.
What is the SMILES notation for N-[[dimethyl(prop-2-enyl)-λ4-sulfanyl]methyl]-2-methyl-N-propan-2-ylpent-4-en-2-amine?
The canonical SMILES for N-[[dimethyl(prop-2-enyl)-λ4-sulfanyl]methyl]-2-methyl-N-propan-2-ylpent-4-en-2-amine is C=CCC(C)(C)N(CS(C)(C)CC=C)C(C)C.
What is the InChIKey of N-[[dimethyl(prop-2-enyl)-λ4-sulfanyl]methyl]-2-methyl-N-propan-2-ylpent-4-en-2-amine?
The InChIKey is WKBLGJDYPPSVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NS/c1-9-11-15(5,6)16(14(3)4)13-17(7,8)12-10-2/h9-10,14H,1-2,11-13H2,3-8H3.
What are the key properties of N-[[dimethyl(prop-2-enyl)-λ4-sulfanyl]methyl]-2-methyl-N-propan-2-ylpent-4-en-2-amine?
N-[[dimethyl(prop-2-enyl)-λ4-sulfanyl]methyl]-2-methyl-N-propan-2-ylpent-4-en-2-amine has a molecular weight of 257.49 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[dimethyl(prop-2-enyl)-λ4-sulfanyl]methyl]-2-methyl-N-propan-2-ylpent-4-en-2-amine is sourced from PubChem (CID 155296705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).