N,4-dimethyl-1-(thiolan-3-yl)pent-4-en-1-amine

C11H21NS — CID 105182600

IUPACN,4-dimethyl-1-(thiolan-3-yl)pent-4-en-1-amine
SMILESC=C(C)CCC(NC)C1CCSC1
InChIInChI=1S/C11H21NS/c1-9(2)4-5-11(12-3)10-6-7-13-8-10/h10-12H,1,4-8H2,2-3H3
InChIKeyORDSUPGIOVWPHO-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.68
Rot. Bonds5

About N,4-dimethyl-1-(thiolan-3-yl)pent-4-en-1-amine

N,4-dimethyl-1-(thiolan-3-yl)pent-4-en-1-amine (PubChem CID 105182600) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is N,4-dimethyl-1-(thiolan-3-yl)pent-4-en-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(thiolan-3-yl)pent-4-en-1-amine
PubChem CID105182600
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC NameN,4-dimethyl-1-(thiolan-3-yl)pent-4-en-1-amine
SMILESC=C(C)CCC(NC)C1CCSC1
InChIInChI=1S/C11H21NS/c1-9(2)4-5-11(12-3)10-6-7-13-8-10/h10-12H,1,4-8H2,2-3H3
InChIKeyORDSUPGIOVWPHO-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylprop-2-enyl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132892
N-methyl-1-(thiolan-3-yl)oct-7-en-1-amine
CID 107012091
N-methyl-4-phenyl-1-(thiolan-3-yl)butan-1-amine
CID 105139837
[4-methyl-1-(thiolan-3-yl)pentyl]hydrazine
CID 105294315
[2-propan-2-yloxy-1-(thiolan-3-yl)ethyl]hydrazine
CID 105323843
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(thiolan-3-yl)ethanamine
CID 105160976
1-(7-bicyclo[4.1.0]heptanyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039219
2-(3-bromothiophen-2-yl)-N-methyl-1-(thiolan-3-yl)ethanamine
CID 105139532
3-amino-2,2-dimethyl-3-(thiolan-3-yl)propan-1-ol
CID 131162508
(1-bromo-5-methylhex-5-enyl)cyclopropane
CID 79185001
3-amino-1-(thiolan-3-yl)propan-1-ol
CID 82652261
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-N,4-dimethylpent-4-en-1-amine
CID 106601538

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(thiolan-3-yl)pent-4-en-1-amine?
The IUPAC name of N,4-dimethyl-1-(thiolan-3-yl)pent-4-en-1-amine (CID 105182600) is N,4-dimethyl-1-(thiolan-3-yl)pent-4-en-1-amine.
What is the SMILES notation for N,4-dimethyl-1-(thiolan-3-yl)pent-4-en-1-amine?
The canonical SMILES for N,4-dimethyl-1-(thiolan-3-yl)pent-4-en-1-amine is C=C(C)CCC(NC)C1CCSC1.
What is the InChIKey of N,4-dimethyl-1-(thiolan-3-yl)pent-4-en-1-amine?
The InChIKey is ORDSUPGIOVWPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-9(2)4-5-11(12-3)10-6-7-13-8-10/h10-12H,1,4-8H2,2-3H3.
What are the key properties of N,4-dimethyl-1-(thiolan-3-yl)pent-4-en-1-amine?
N,4-dimethyl-1-(thiolan-3-yl)pent-4-en-1-amine has a molecular weight of 199.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-(thiolan-3-yl)pent-4-en-1-amine is sourced from PubChem (CID 105182600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).