N,N-dimethyl-3-phenyl-6-thiophen-3-ylhex-5-en-3-amine

C18H23NS — CID 67942350

IUPACN,N-dimethyl-3-phenyl-6-thiophen-3-ylhex-5-en-3-amine
SMILESCCC(CC=Cc1ccsc1)(c1ccccc1)N(C)C
InChIInChI=1S/C18H23NS/c1-4-18(19(2)3,17-10-6-5-7-11-17)13-8-9-16-12-14-20-15-16/h5-12,14-15H,4,13H2,1-3H3
InChIKeyJIZMYOYNBGJSSP-UHFFFAOYSA-N
MW285.46 g/mol
LogP5.02
Rot. Bonds6

About N,N-dimethyl-3-phenyl-6-thiophen-3-ylhex-5-en-3-amine

N,N-dimethyl-3-phenyl-6-thiophen-3-ylhex-5-en-3-amine (PubChem CID 67942350) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is N,N-dimethyl-3-phenyl-6-thiophen-3-ylhex-5-en-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-phenyl-6-thiophen-3-ylhex-5-en-3-amine
PubChem CID67942350
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC NameN,N-dimethyl-3-phenyl-6-thiophen-3-ylhex-5-en-3-amine
SMILESCCC(CC=Cc1ccsc1)(c1ccccc1)N(C)C
InChIInChI=1S/C18H23NS/c1-4-18(19(2)3,17-10-6-5-7-11-17)13-8-9-16-12-14-20-15-16/h5-12,14-15H,4,13H2,1-3H3
InChIKeyJIZMYOYNBGJSSP-UHFFFAOYSA-N
XLogP5.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.46
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(E)-but-1-enyl]thiophene
CID 15047169
(E)-N,N-dimethyl-3-thiophen-3-ylprop-2-en-1-amine
CID 20603574
2-(dimethylamino)-2-phenylbutan-1-ol
CID 3016037
N-ethyl-N-methylethanamine;thiophene-3-carbaldehyde
CID 169135569
N-methyl-3-thiophen-3-ylprop-2-en-1-amine
CID 79347337
3-thiophen-3-ylprop-2-ene-1-thiol
CID 169454515
N-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine
CID 150436491
1-phenyl-1-thiophen-3-ylpropan-1-amine
CID 65100038
2-[cyclopropylmethyl(methyl)amino]-2-thiophen-2-yl-5-thiophen-3-ylpent-4-enenitrile
CID 67836542
[(E)-2-methyl-5-phenylpent-4-en-2-yl]benzene
CID 5370792
N-methyl-N-[3-(2-methylphenyl)-6-phenylhex-5-en-3-yl]cyclopropanamine;hydrochloride
CID 139686986
3-[(1E)-4-methylpenta-1,4-dienyl]thiophene
CID 18954556

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phenyl-6-thiophen-3-ylhex-5-en-3-amine?
The IUPAC name of N,N-dimethyl-3-phenyl-6-thiophen-3-ylhex-5-en-3-amine (CID 67942350) is N,N-dimethyl-3-phenyl-6-thiophen-3-ylhex-5-en-3-amine.
What is the SMILES notation for N,N-dimethyl-3-phenyl-6-thiophen-3-ylhex-5-en-3-amine?
The canonical SMILES for N,N-dimethyl-3-phenyl-6-thiophen-3-ylhex-5-en-3-amine is CCC(CC=Cc1ccsc1)(c1ccccc1)N(C)C.
What is the InChIKey of N,N-dimethyl-3-phenyl-6-thiophen-3-ylhex-5-en-3-amine?
The InChIKey is JIZMYOYNBGJSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-4-18(19(2)3,17-10-6-5-7-11-17)13-8-9-16-12-14-20-15-16/h5-12,14-15H,4,13H2,1-3H3.
What are the key properties of N,N-dimethyl-3-phenyl-6-thiophen-3-ylhex-5-en-3-amine?
N,N-dimethyl-3-phenyl-6-thiophen-3-ylhex-5-en-3-amine has a molecular weight of 285.46 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenyl-6-thiophen-3-ylhex-5-en-3-amine is sourced from PubChem (CID 67942350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).