N-(thiophen-2-ylmethyl)hept-6-en-2-amine

C12H19NS — CID 115908870

IUPACN-(thiophen-2-ylmethyl)hept-6-en-2-amine
SMILESC=CCCCC(C)NCc1cccs1
InChIInChI=1S/C12H19NS/c1-3-4-5-7-11(2)13-10-12-8-6-9-14-12/h3,6,8-9,11,13H,1,4-5,7,10H2,2H3
InChIKeyUNVJQYCXDQBFDM-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.58
Rot. Bonds7

About N-(thiophen-2-ylmethyl)hept-6-en-2-amine

N-(thiophen-2-ylmethyl)hept-6-en-2-amine (PubChem CID 115908870) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)hept-6-en-2-amine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)hept-6-en-2-amine
PubChem CID115908870
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-(thiophen-2-ylmethyl)hept-6-en-2-amine
SMILESC=CCCCC(C)NCc1cccs1
InChIInChI=1S/C12H19NS/c1-3-4-5-7-11(2)13-10-12-8-6-9-14-12/h3,6,8-9,11,13H,1,4-5,7,10H2,2H3
InChIKeyUNVJQYCXDQBFDM-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.58
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

(2S)-N-(thiophen-2-ylmethyl)hex-5-en-2-amine
CID 97358797
N-(1-thiophen-2-ylpropan-2-yl)hept-6-en-2-amine
CID 115906838
N-(3-thiophen-2-ylpropyl)hex-5-en-2-amine
CID 104583720
N-(thiophen-2-ylmethyl)oct-7-en-4-amine
CID 115706740
N-[(5-methoxythiophen-2-yl)methyl]hept-6-en-2-amine
CID 115908921
1-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 115615676
N-[(3-methylfuran-2-yl)methyl]hept-6-en-2-amine
CID 115908896
4-(3-methylphenyl)-N-(thiophen-2-ylmethyl)butan-2-amine
CID 61169939
4-cyclopentyl-N-(thiophen-2-ylmethyl)butan-2-amine
CID 115644666
N-[(4-bromothiophen-2-yl)methyl]hex-5-en-2-amine
CID 75525502
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

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)hept-6-en-2-amine?
The IUPAC name of N-(thiophen-2-ylmethyl)hept-6-en-2-amine (CID 115908870) is N-(thiophen-2-ylmethyl)hept-6-en-2-amine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)hept-6-en-2-amine?
The canonical SMILES for N-(thiophen-2-ylmethyl)hept-6-en-2-amine is C=CCCCC(C)NCc1cccs1.
What is the InChIKey of N-(thiophen-2-ylmethyl)hept-6-en-2-amine?
The InChIKey is UNVJQYCXDQBFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-3-4-5-7-11(2)13-10-12-8-6-9-14-12/h3,6,8-9,11,13H,1,4-5,7,10H2,2H3.
What are the key properties of N-(thiophen-2-ylmethyl)hept-6-en-2-amine?
N-(thiophen-2-ylmethyl)hept-6-en-2-amine has a molecular weight of 209.36 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)hept-6-en-2-amine is sourced from PubChem (CID 115908870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).