(Z)-N,N-dimethyl-4-methylsulfanylhex-4-en-1-amine

C9H19NS — CID 143858940

IUPAC(Z)-N,N-dimethyl-4-methylsulfanylhex-4-en-1-amine
SMILESC/C=C(/CCCN(C)C)SC
InChIInChI=1S/C9H19NS/c1-5-9(11-4)7-6-8-10(2)3/h5H,6-8H2,1-4H3/b9-5-
InChIKeyXHDAWKVZBZWELU-UITAMQMPSA-N
MW173.32 g/mol
LogP2.60
Rot. Bonds5

About (Z)-N,N-dimethyl-4-methylsulfanylhex-4-en-1-amine

(Z)-N,N-dimethyl-4-methylsulfanylhex-4-en-1-amine (PubChem CID 143858940) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is (Z)-N,N-dimethyl-4-methylsulfanylhex-4-en-1-amine.

Molecular Properties

Compound Name(Z)-N,N-dimethyl-4-methylsulfanylhex-4-en-1-amine
PubChem CID143858940
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name(Z)-N,N-dimethyl-4-methylsulfanylhex-4-en-1-amine
SMILESC/C=C(/CCCN(C)C)SC
InChIInChI=1S/C9H19NS/c1-5-9(11-4)7-6-8-10(2)3/h5H,6-8H2,1-4H3/b9-5-
InChIKeyXHDAWKVZBZWELU-UITAMQMPSA-N
XLogP2.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-N-ethyl-3-ethylsulfanyl-N-methylpent-3-en-1-amine
CID 118617237
(4E,6Z)-N,N-dimethyl-7-methylsulfanylhepta-4,6-dien-1-amine;ethene
CID 142806868
(Z)-N,N,3-trimethyl-4-methylsulfanylhept-4-en-1-amine
CID 143782135
(Z)-N,N-dimethyl-4-methylsulfanylhex-4-en-1-amine;ethane
CID 143858939
ethane;(Z)-3-ethylsulfanyl-N-methyl-N-propylpent-3-en-1-amine
CID 145444632
N,N-dibutyl-3-methylsulfanylcyclopent-3-en-1-amine
CID 163863912
ethyl-[2-[(Z)-hex-2-en-3-yl]sulfanylethyl]-dipropylazanium
CID 166750025
N-butyl-N-methyl-3-methylsulfanylbut-3-en-1-amine
CID 169926096
5-methylsulfanyl-1-propyl-3,6-dihydro-2H-pyridine
CID 173430912
(Z)-N-methyl-4-methylsulfanylhex-4-en-1-amine
CID 142604435
(4E,6Z)-N,N-dimethyl-7-methylsulfanylhepta-4,6-dien-1-amine
CID 142806869
(Z)-3-ethylsulfanyl-N-methyl-N-propylpent-3-en-1-amine
CID 145444633

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-dimethyl-4-methylsulfanylhex-4-en-1-amine?
The IUPAC name of (Z)-N,N-dimethyl-4-methylsulfanylhex-4-en-1-amine (CID 143858940) is (Z)-N,N-dimethyl-4-methylsulfanylhex-4-en-1-amine.
What is the SMILES notation for (Z)-N,N-dimethyl-4-methylsulfanylhex-4-en-1-amine?
The canonical SMILES for (Z)-N,N-dimethyl-4-methylsulfanylhex-4-en-1-amine is C/C=C(/CCCN(C)C)SC.
What is the InChIKey of (Z)-N,N-dimethyl-4-methylsulfanylhex-4-en-1-amine?
The InChIKey is XHDAWKVZBZWELU-UITAMQMPSA-N. The full InChI is InChI=1S/C9H19NS/c1-5-9(11-4)7-6-8-10(2)3/h5H,6-8H2,1-4H3/b9-5-.
What are the key properties of (Z)-N,N-dimethyl-4-methylsulfanylhex-4-en-1-amine?
(Z)-N,N-dimethyl-4-methylsulfanylhex-4-en-1-amine has a molecular weight of 173.32 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dimethyl-4-methylsulfanylhex-4-en-1-amine is sourced from PubChem (CID 143858940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).