(Z)-N-(2-methylsulfanylethyl)hept-5-en-1-amine

C10H21NS — CID 140598914

IUPAC(Z)-N-(2-methylsulfanylethyl)hept-5-en-1-amine
SMILESC/C=C\CCCCNCCSC
InChIInChI=1S/C10H21NS/c1-3-4-5-6-7-8-11-9-10-12-2/h3-4,11H,5-10H2,1-2H3/b4-3-
InChIKeyBQVVCURHTHKIMK-ARJAWSKDSA-N
MW187.35 g/mol
LogP2.69
Rot. Bonds8

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

(Z)-N-(2-methylsulfanylethyl)hept-5-en-1-amine (PubChem CID 140598914) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is (Z)-N-(2-methylsulfanylethyl)hept-5-en-1-amine.

Molecular Properties

Compound Name(Z)-N-(2-methylsulfanylethyl)hept-5-en-1-amine
PubChem CID140598914
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name(Z)-N-(2-methylsulfanylethyl)hept-5-en-1-amine
SMILESC/C=C\CCCCNCCSC
InChIInChI=1S/C10H21NS/c1-3-4-5-6-7-8-11-9-10-12-2/h3-4,11H,5-10H2,1-2H3/b4-3-
InChIKeyBQVVCURHTHKIMK-ARJAWSKDSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-methylsulfanylhept-2-ene
CID 91131968
(Z)-N-ethylundec-9-en-1-amine
CID 144898184
N-(2-methylsulfanylethyl)decan-1-amine
CID 60669485
4-(2-methylsulfanylethylamino)butan-1-ol
CID 63964871
3-[[(E)-non-7-enyl]amino]propanenitrile
CID 101282852
(E)-N-methyloct-6-en-1-amine
CID 55287936
N-butylpent-3-en-1-amine
CID 73198487
5-(2-methylsulfanylethylamino)pentanenitrile
CID 60695440
N'-hydroxy-5-(2-methylsulfanylethylamino)pentanimidamide
CID 77027857
hentriaconta-2,10,29-triene
CID 150025785
bis(dodeca-2,10-diene);methane
CID 159815244
icosa-2,10,18-triene
CID 74063823

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-methylsulfanylethyl)hept-5-en-1-amine?
The IUPAC name of (Z)-N-(2-methylsulfanylethyl)hept-5-en-1-amine (CID 140598914) is (Z)-N-(2-methylsulfanylethyl)hept-5-en-1-amine.
What is the SMILES notation for (Z)-N-(2-methylsulfanylethyl)hept-5-en-1-amine?
The canonical SMILES for (Z)-N-(2-methylsulfanylethyl)hept-5-en-1-amine is C/C=C\CCCCNCCSC.
What is the InChIKey of (Z)-N-(2-methylsulfanylethyl)hept-5-en-1-amine?
The InChIKey is BQVVCURHTHKIMK-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H21NS/c1-3-4-5-6-7-8-11-9-10-12-2/h3-4,11H,5-10H2,1-2H3/b4-3-.
What are the key properties of (Z)-N-(2-methylsulfanylethyl)hept-5-en-1-amine?
(Z)-N-(2-methylsulfanylethyl)hept-5-en-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-methylsulfanylethyl)hept-5-en-1-amine is sourced from PubChem (CID 140598914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).