N',N'-dimethyl-N-[1-[(Z)-2-methylpent-1-enyl]sulfanylethenyl]ethane-1,2-diamine

C12H24N2S — CID 142207703

IUPACN',N'-dimethyl-N-[1-[(Z)-2-methylpent-1-enyl]sulfanylethenyl]ethane-1,2-diamine
SMILESC=C(NCCN(C)C)S/C=C(/C)CCC
InChIInChI=1S/C12H24N2S/c1-6-7-11(2)10-15-12(3)13-8-9-14(4)5/h10,13H,3,6-9H2,1-2,4-5H3/b11-10-
InChIKeyRJZOCSXKACAPQQ-KHPPLWFESA-N
MW228.40 g/mol
LogP3.05
Rot. Bonds8

About N',N'-dimethyl-N-[1-[(Z)-2-methylpent-1-enyl]sulfanylethenyl]ethane-1,2-diamine

N',N'-dimethyl-N-[1-[(Z)-2-methylpent-1-enyl]sulfanylethenyl]ethane-1,2-diamine (PubChem CID 142207703) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N',N'-dimethyl-N-[1-[(Z)-2-methylpent-1-enyl]sulfanylethenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[1-[(Z)-2-methylpent-1-enyl]sulfanylethenyl]ethane-1,2-diamine
PubChem CID142207703
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN',N'-dimethyl-N-[1-[(Z)-2-methylpent-1-enyl]sulfanylethenyl]ethane-1,2-diamine
SMILESC=C(NCCN(C)C)S/C=C(/C)CCC
InChIInChI=1S/C12H24N2S/c1-6-7-11(2)10-15-12(3)13-8-9-14(4)5/h10,13H,3,6-9H2,1-2,4-5H3/b11-10-
InChIKeyRJZOCSXKACAPQQ-KHPPLWFESA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butanoyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide;ethane
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CID 130219383
2-methyl-1-(2-methylpent-1-enyldisulfanyl)pent-1-ene
CID 175555923
N-(3-ethyl-5-methylhexa-1,5-dien-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 130219694
1-[(Z)-2-methylpent-1-enyl]sulfanylethenylbenzene
CID 170033214
N-[2-(dimethylamino)ethyl]but-3-enamide
CID 89108263
(E)-N-[2-(dimethylamino)ethyl]oct-4-enamide
CID 102117814
3-[acetyl(propyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113114928
N-[2-(dimethylamino)ethyl]icosa-5,8,11,14-tetraenamide
CID 90799931
N-[2-(dimethylamino)ethyl]-4-methyl-2-[methyl(propanoyl)amino]pent-4-enamide
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N-[2-(dimethylamino)ethyl]pent-4-enamide
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(E)-N-[2-(dimethylamino)ethyl]non-4-enamide
CID 102117820

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[1-[(Z)-2-methylpent-1-enyl]sulfanylethenyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[1-[(Z)-2-methylpent-1-enyl]sulfanylethenyl]ethane-1,2-diamine (CID 142207703) is N',N'-dimethyl-N-[1-[(Z)-2-methylpent-1-enyl]sulfanylethenyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[1-[(Z)-2-methylpent-1-enyl]sulfanylethenyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[1-[(Z)-2-methylpent-1-enyl]sulfanylethenyl]ethane-1,2-diamine is C=C(NCCN(C)C)S/C=C(/C)CCC.
What is the InChIKey of N',N'-dimethyl-N-[1-[(Z)-2-methylpent-1-enyl]sulfanylethenyl]ethane-1,2-diamine?
The InChIKey is RJZOCSXKACAPQQ-KHPPLWFESA-N. The full InChI is InChI=1S/C12H24N2S/c1-6-7-11(2)10-15-12(3)13-8-9-14(4)5/h10,13H,3,6-9H2,1-2,4-5H3/b11-10-.
What are the key properties of N',N'-dimethyl-N-[1-[(Z)-2-methylpent-1-enyl]sulfanylethenyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[1-[(Z)-2-methylpent-1-enyl]sulfanylethenyl]ethane-1,2-diamine has a molecular weight of 228.40 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[1-[(Z)-2-methylpent-1-enyl]sulfanylethenyl]ethane-1,2-diamine is sourced from PubChem (CID 142207703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).