N,4-dimethyl-1-(thian-4-yl)pent-4-en-2-amine

C12H23NS — CID 105163018

IUPACN,4-dimethyl-1-(thian-4-yl)pent-4-en-2-amine
SMILESC=C(C)CC(CC1CCSCC1)NC
InChIInChI=1S/C12H23NS/c1-10(2)8-12(13-3)9-11-4-6-14-7-5-11/h11-13H,1,4-9H2,2-3H3
InChIKeySIXINPGWVWQFOF-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.07
Rot. Bonds5

About N,4-dimethyl-1-(thian-4-yl)pent-4-en-2-amine

N,4-dimethyl-1-(thian-4-yl)pent-4-en-2-amine (PubChem CID 105163018) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is N,4-dimethyl-1-(thian-4-yl)pent-4-en-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(thian-4-yl)pent-4-en-2-amine
PubChem CID105163018
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC NameN,4-dimethyl-1-(thian-4-yl)pent-4-en-2-amine
SMILESC=C(C)CC(CC1CCSCC1)NC
InChIInChI=1S/C12H23NS/c1-10(2)8-12(13-3)9-11-4-6-14-7-5-11/h11-13H,1,4-9H2,2-3H3
InChIKeySIXINPGWVWQFOF-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.07
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

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CID 68187026
(3S)-6-methyl-4-methylidene-1-methylsulfanyloctan-3-amine
CID 89353302
(1S)-1-[(10R)-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]thiopyran-10-yl]-N-methylethanamine
CID 129016251
(1R)-1-[(10R)-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]thiopyran-10-yl]-N-methylethanamine
CID 129016252
(1R)-1-[(10S)-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]thiopyran-10-yl]-N-methylethanamine
CID 129016254
(3S)-N-methyl-5-pentylthian-3-amine
CID 141885095
Ethane;2-methyl-1-(3-methylthian-2-yl)prop-2-en-1-amine
CID 143782987
N-methyl-8-(2-methylbutylsulfanyl)-1-(9-methyldodecylphosphanyl)-5-methylidenenon-8-en-2-amine
CID 154977353
N,2,6-trimethyl-11-[2-methyl-4-(2-methyl-4-methylideneheptan-2-yl)sulfanylpentan-2-yl]sulfanylundecan-2-amine
CID 155002156
N,3-dimethyl-4-(3-methyl-2-methylidenebutyl)thiolan-3-amine
CID 163708929
1-[1,3-dimethyl-1-(2,5,6-trimethyl-4-methylsulfanylhept-6-en-3-yl)thiiran-2-yl]-N,2-dimethylpropan-1-amine
CID 174338939
N-methyl-4-methylidene-1-(2-methylpropylsulfanyl)hexan-2-amine
CID 66039722

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(thian-4-yl)pent-4-en-2-amine?
The IUPAC name of N,4-dimethyl-1-(thian-4-yl)pent-4-en-2-amine (CID 105163018) is N,4-dimethyl-1-(thian-4-yl)pent-4-en-2-amine.
What is the SMILES notation for N,4-dimethyl-1-(thian-4-yl)pent-4-en-2-amine?
The canonical SMILES for N,4-dimethyl-1-(thian-4-yl)pent-4-en-2-amine is C=C(C)CC(CC1CCSCC1)NC.
What is the InChIKey of N,4-dimethyl-1-(thian-4-yl)pent-4-en-2-amine?
The InChIKey is SIXINPGWVWQFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-10(2)8-12(13-3)9-11-4-6-14-7-5-11/h11-13H,1,4-9H2,2-3H3.
What are the key properties of N,4-dimethyl-1-(thian-4-yl)pent-4-en-2-amine?
N,4-dimethyl-1-(thian-4-yl)pent-4-en-2-amine has a molecular weight of 213.39 g/mol, XLogP of 3.07, 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-(thian-4-yl)pent-4-en-2-amine is sourced from PubChem (CID 105163018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).