(5R)-5-methyl-N-(2-methylsulfanylethyl)hept-1-en-2-amine

C11H23NS — CID 143300841

IUPAC(5R)-5-methyl-N-(2-methylsulfanylethyl)hept-1-en-2-amine
SMILESC=C(CC[C@H](C)CC)NCCSC
InChIInChI=1S/C11H23NS/c1-5-10(2)6-7-11(3)12-8-9-13-4/h10,12H,3,5-9H2,1-2,4H3/t10-/m1/s1
InChIKeyXDKUKLSCRARTMQ-SNVBAGLBSA-N
MW201.38 g/mol
LogP3.28
Rot. Bonds8

About (5R)-5-methyl-N-(2-methylsulfanylethyl)hept-1-en-2-amine

(5R)-5-methyl-N-(2-methylsulfanylethyl)hept-1-en-2-amine (PubChem CID 143300841) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is (5R)-5-methyl-N-(2-methylsulfanylethyl)hept-1-en-2-amine.

Molecular Properties

Compound Name(5R)-5-methyl-N-(2-methylsulfanylethyl)hept-1-en-2-amine
PubChem CID143300841
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name(5R)-5-methyl-N-(2-methylsulfanylethyl)hept-1-en-2-amine
SMILESC=C(CC[C@H](C)CC)NCCSC
InChIInChI=1S/C11H23NS/c1-5-10(2)6-7-11(3)12-8-9-13-4/h10,12H,3,5-9H2,1-2,4H3/t10-/m1/s1
InChIKeyXDKUKLSCRARTMQ-SNVBAGLBSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5R)-5-methyl-N-(2-methylsulfanylethyl)hept-1-en-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-Methylidene-6-(2-methylpropyl)-1,4-thiazepane
CID 54444296
10-Amino-4-methyl-3-(prop-1-en-2-ylamino)undec-10-ene-5-thiol
CID 89275336
(Z)-2-cyclohexyl-2-(methylamino)ethenethiol
CID 89575591
3-methyl-N-[(E)-1-methylsulfanylbut-1-en-2-yl]pentan-2-amine
CID 118613530
N-(5-methylhexyl)-7-methylsulfinothioylhept-1-en-2-amine
CID 134313945
6-methyl-N-(2-propan-2-ylsulfanylethyl)hept-1-en-2-amine
CID 134398164
3-(cyclohexylmethyl)-N-(2-methyl-3-methylsulfanylpropyl)pent-1-en-2-amine
CID 137466893
5-methyl-N-(2-methylpropyl)hept-1-en-2-amine
CID 139430530
2-Cyclohexyl-4-ethyl-2,3-dihydro-1,3-thiazole
CID 141791082
4-Cyclobutyl-2-methyl-2,3-dihydro-1,3-thiazole
CID 141931201
6-methyl-N-(2-methylsulfanylethyl)hept-1-en-2-amine
CID 142320055
4-cyclohexyl-N-methyl-3-methylsulfanylbut-1-en-2-amine
CID 146327139

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-N-(2-methylsulfanylethyl)hept-1-en-2-amine?
The IUPAC name of (5R)-5-methyl-N-(2-methylsulfanylethyl)hept-1-en-2-amine (CID 143300841) is (5R)-5-methyl-N-(2-methylsulfanylethyl)hept-1-en-2-amine.
What is the SMILES notation for (5R)-5-methyl-N-(2-methylsulfanylethyl)hept-1-en-2-amine?
The canonical SMILES for (5R)-5-methyl-N-(2-methylsulfanylethyl)hept-1-en-2-amine is C=C(CC[C@H](C)CC)NCCSC.
What is the InChIKey of (5R)-5-methyl-N-(2-methylsulfanylethyl)hept-1-en-2-amine?
The InChIKey is XDKUKLSCRARTMQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H23NS/c1-5-10(2)6-7-11(3)12-8-9-13-4/h10,12H,3,5-9H2,1-2,4H3/t10-/m1/s1.
What are the key properties of (5R)-5-methyl-N-(2-methylsulfanylethyl)hept-1-en-2-amine?
(5R)-5-methyl-N-(2-methylsulfanylethyl)hept-1-en-2-amine has a molecular weight of 201.38 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-N-(2-methylsulfanylethyl)hept-1-en-2-amine is sourced from PubChem (CID 143300841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).