N-(thiophen-2-ylmethyl)oct-7-en-4-amine

C13H21NS — CID 115706740

IUPACN-(thiophen-2-ylmethyl)oct-7-en-4-amine
SMILESC=CCCC(CCC)NCc1cccs1
InChIInChI=1S/C13H21NS/c1-3-5-8-12(7-4-2)14-11-13-9-6-10-15-13/h3,6,9-10,12,14H,1,4-5,7-8,11H2,2H3
InChIKeyXJXJKMLIPDZWOI-UHFFFAOYSA-N
MW223.39 g/mol
LogP3.97
Rot. Bonds8

About N-(thiophen-2-ylmethyl)oct-7-en-4-amine

N-(thiophen-2-ylmethyl)oct-7-en-4-amine (PubChem CID 115706740) has the molecular formula C13H21NS and a molecular weight of 223.39 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)oct-7-en-4-amine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)oct-7-en-4-amine
PubChem CID115706740
Molecular FormulaC13H21NS
Molecular Weight223.39 g/mol
Exact Mass223.14
IUPAC NameN-(thiophen-2-ylmethyl)oct-7-en-4-amine
SMILESC=CCCC(CCC)NCc1cccs1
InChIInChI=1S/C13H21NS/c1-3-5-8-12(7-4-2)14-11-13-9-6-10-15-13/h3,6,9-10,12,14H,1,4-5,7-8,11H2,2H3
InChIKeyXJXJKMLIPDZWOI-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.39
LogP ≤ 53.97
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

(2S)-N-(thiophen-2-ylmethyl)hex-5-en-2-amine
CID 97358797
N-(thiophen-2-ylmethyl)hept-6-en-2-amine
CID 115908870
N-(3-thiophen-2-ylpropyl)hex-5-en-2-amine
CID 104583720
2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine
CID 65379566
N-(1,2-oxazol-3-ylmethyl)oct-7-en-4-amine
CID 115726401
N-(pyridin-3-ylmethyl)oct-7-en-4-amine
CID 115704900
N-propyl-7-thiophen-2-ylhept-1-en-4-amine
CID 105107893
(2R)-1-methoxy-N-(thiophen-2-ylmethyl)butan-2-amine
CID 95366277
(2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine
CID 28669346
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
N-(1-thiophen-2-ylpropan-2-yl)hept-6-en-2-amine
CID 115906838
2,2,5-trimethyl-N-(thiophen-2-ylmethyl)hexan-3-amine
CID 115641765

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)oct-7-en-4-amine?
The IUPAC name of N-(thiophen-2-ylmethyl)oct-7-en-4-amine (CID 115706740) is N-(thiophen-2-ylmethyl)oct-7-en-4-amine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)oct-7-en-4-amine?
The canonical SMILES for N-(thiophen-2-ylmethyl)oct-7-en-4-amine is C=CCCC(CCC)NCc1cccs1.
What is the InChIKey of N-(thiophen-2-ylmethyl)oct-7-en-4-amine?
The InChIKey is XJXJKMLIPDZWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-3-5-8-12(7-4-2)14-11-13-9-6-10-15-13/h3,6,9-10,12,14H,1,4-5,7-8,11H2,2H3.
What are the key properties of N-(thiophen-2-ylmethyl)oct-7-en-4-amine?
N-(thiophen-2-ylmethyl)oct-7-en-4-amine has a molecular weight of 223.39 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)oct-7-en-4-amine is sourced from PubChem (CID 115706740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).