(2S)-N-(thiophen-2-ylmethyl)hex-5-en-2-amine

C11H17NS — CID 97358797

IUPAC(2S)-N-(thiophen-2-ylmethyl)hex-5-en-2-amine
SMILESC=CCC[C@H](C)NCc1cccs1
InChIInChI=1S/C11H17NS/c1-3-4-6-10(2)12-9-11-7-5-8-13-11/h3,5,7-8,10,12H,1,4,6,9H2,2H3/t10-/m0/s1
InChIKeyGSZUCCFBPQAGCK-JTQLQIEISA-N
MW195.33 g/mol
LogP3.19
Rot. Bonds6

About (2S)-N-(thiophen-2-ylmethyl)hex-5-en-2-amine

(2S)-N-(thiophen-2-ylmethyl)hex-5-en-2-amine (PubChem CID 97358797) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is (2S)-N-(thiophen-2-ylmethyl)hex-5-en-2-amine.

Molecular Properties

Compound Name(2S)-N-(thiophen-2-ylmethyl)hex-5-en-2-amine
PubChem CID97358797
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name(2S)-N-(thiophen-2-ylmethyl)hex-5-en-2-amine
SMILESC=CCC[C@H](C)NCc1cccs1
InChIInChI=1S/C11H17NS/c1-3-4-6-10(2)12-9-11-7-5-8-13-11/h3,5,7-8,10,12H,1,4,6,9H2,2H3/t10-/m0/s1
InChIKeyGSZUCCFBPQAGCK-JTQLQIEISA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.19
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

N-(thiophen-2-ylmethyl)hept-6-en-2-amine
CID 115908870
N-(3-thiophen-2-ylpropyl)hex-5-en-2-amine
CID 104583720
N-(thiophen-2-ylmethyl)oct-7-en-4-amine
CID 115706740
N-[(4-bromothiophen-2-yl)methyl]hex-5-en-2-amine
CID 75525502
(2R)-N-benzylhex-5-en-2-amine
CID 97107585
N-[(3-bromothiophen-2-yl)methyl]hex-5-en-2-amine
CID 104583115
4-cyclopentyl-N-(thiophen-2-ylmethyl)butan-2-amine
CID 115644666
N-(1-thiophen-2-ylpropan-2-yl)hept-6-en-2-amine
CID 115906838
1-thiophen-3-yl-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61222092
1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 43677636
1-(furan-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 43432946
3-(thiophen-2-ylmethylamino)butanoic acid
CID 43536918

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(thiophen-2-ylmethyl)hex-5-en-2-amine?
The IUPAC name of (2S)-N-(thiophen-2-ylmethyl)hex-5-en-2-amine (CID 97358797) is (2S)-N-(thiophen-2-ylmethyl)hex-5-en-2-amine.
What is the SMILES notation for (2S)-N-(thiophen-2-ylmethyl)hex-5-en-2-amine?
The canonical SMILES for (2S)-N-(thiophen-2-ylmethyl)hex-5-en-2-amine is C=CCC[C@H](C)NCc1cccs1.
What is the InChIKey of (2S)-N-(thiophen-2-ylmethyl)hex-5-en-2-amine?
The InChIKey is GSZUCCFBPQAGCK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17NS/c1-3-4-6-10(2)12-9-11-7-5-8-13-11/h3,5,7-8,10,12H,1,4,6,9H2,2H3/t10-/m0/s1.
What are the key properties of (2S)-N-(thiophen-2-ylmethyl)hex-5-en-2-amine?
(2S)-N-(thiophen-2-ylmethyl)hex-5-en-2-amine has a molecular weight of 195.33 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(thiophen-2-ylmethyl)hex-5-en-2-amine is sourced from PubChem (CID 97358797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).