N-ethyl-2-methyl-7-thiophen-2-ylhept-1-en-4-amine

C14H23NS — CID 105163184

IUPACN-ethyl-2-methyl-7-thiophen-2-ylhept-1-en-4-amine
SMILESC=C(C)CC(CCCc1cccs1)NCC
InChIInChI=1S/C14H23NS/c1-4-15-13(11-12(2)3)7-5-8-14-9-6-10-16-14/h6,9-10,13,15H,2,4-5,7-8,11H2,1,3H3
InChIKeyLNGYGJAWJHMAMN-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.02
Rot. Bonds8

About N-ethyl-2-methyl-7-thiophen-2-ylhept-1-en-4-amine

N-ethyl-2-methyl-7-thiophen-2-ylhept-1-en-4-amine (PubChem CID 105163184) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-ethyl-2-methyl-7-thiophen-2-ylhept-1-en-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-7-thiophen-2-ylhept-1-en-4-amine
PubChem CID105163184
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-ethyl-2-methyl-7-thiophen-2-ylhept-1-en-4-amine
SMILESC=C(C)CC(CCCc1cccs1)NCC
InChIInChI=1S/C14H23NS/c1-4-15-13(11-12(2)3)7-5-8-14-9-6-10-16-14/h6,9-10,13,15H,2,4-5,7-8,11H2,1,3H3
InChIKeyLNGYGJAWJHMAMN-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.02
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-ethyl-1-(5-ethylthiophen-2-yl)-5-thiophen-2-ylpentan-2-amine
CID 105136134
N-ethyl-1-ethylsulfonyl-7-thiophen-2-ylheptan-4-amine
CID 105152716
(7-methyl-1-thiophen-2-yloct-7-en-4-yl)hydrazine
CID 105335936
1-cyclopentyl-N-ethyl-5-thiophen-2-ylpentan-2-amine
CID 105139096
N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine
CID 63528646
N-ethyl-1-(oxan-4-yl)-5-thiophen-2-ylpentan-2-amine
CID 105138838
N-ethyl-5-methyl-1-phenylhex-5-en-3-amine
CID 79179781
N-ethyl-5-methyl-1-thiophen-2-ylheptan-3-amine
CID 115860879
1-(2,5-dichlorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine
CID 105151513
N-propyl-7-thiophen-2-ylhept-1-en-4-amine
CID 105107893
N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-5-thiophen-2-ylpentan-2-amine
CID 105160518
1-thiophen-2-yltetradecan-4-ylhydrazine
CID 105298385

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-7-thiophen-2-ylhept-1-en-4-amine?
The IUPAC name of N-ethyl-2-methyl-7-thiophen-2-ylhept-1-en-4-amine (CID 105163184) is N-ethyl-2-methyl-7-thiophen-2-ylhept-1-en-4-amine.
What is the SMILES notation for N-ethyl-2-methyl-7-thiophen-2-ylhept-1-en-4-amine?
The canonical SMILES for N-ethyl-2-methyl-7-thiophen-2-ylhept-1-en-4-amine is C=C(C)CC(CCCc1cccs1)NCC.
What is the InChIKey of N-ethyl-2-methyl-7-thiophen-2-ylhept-1-en-4-amine?
The InChIKey is LNGYGJAWJHMAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-4-15-13(11-12(2)3)7-5-8-14-9-6-10-16-14/h6,9-10,13,15H,2,4-5,7-8,11H2,1,3H3.
What are the key properties of N-ethyl-2-methyl-7-thiophen-2-ylhept-1-en-4-amine?
N-ethyl-2-methyl-7-thiophen-2-ylhept-1-en-4-amine has a molecular weight of 237.41 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-7-thiophen-2-ylhept-1-en-4-amine is sourced from PubChem (CID 105163184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).