N-[3-(2,3-dihydrothiophen-5-yl)prop-1-en-2-yl]-2,4-dimethylpent-1-en-3-amine

C14H23NS — CID 145258815

IUPACN-[3-(2,3-dihydrothiophen-5-yl)prop-1-en-2-yl]-2,4-dimethylpent-1-en-3-amine
SMILESC=C(CC1=CCCS1)NC(C(=C)C)C(C)C
InChIInChI=1S/C14H23NS/c1-10(2)14(11(3)4)15-12(5)9-13-7-6-8-16-13/h7,11,14-15H,1,5-6,8-9H2,2-4H3
InChIKeyNZDMYZRPELNCBU-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.10
Rot. Bonds6

About N-[3-(2,3-dihydrothiophen-5-yl)prop-1-en-2-yl]-2,4-dimethylpent-1-en-3-amine

N-[3-(2,3-dihydrothiophen-5-yl)prop-1-en-2-yl]-2,4-dimethylpent-1-en-3-amine (PubChem CID 145258815) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-[3-(2,3-dihydrothiophen-5-yl)prop-1-en-2-yl]-2,4-dimethylpent-1-en-3-amine.

Molecular Properties

Compound NameN-[3-(2,3-dihydrothiophen-5-yl)prop-1-en-2-yl]-2,4-dimethylpent-1-en-3-amine
PubChem CID145258815
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-[3-(2,3-dihydrothiophen-5-yl)prop-1-en-2-yl]-2,4-dimethylpent-1-en-3-amine
SMILESC=C(CC1=CCCS1)NC(C(=C)C)C(C)C
InChIInChI=1S/C14H23NS/c1-10(2)14(11(3)4)15-12(5)9-13-7-6-8-16-13/h7,11,14-15H,1,5-6,8-9H2,2-4H3
InChIKeyNZDMYZRPELNCBU-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[3-(2,3-dihydrothiophen-5-yl)prop-1-en-2-yl]-2,4-dimethylpent-1-en-3-amine with MolForge

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Related Compounds

3-(3-Methylbut-2-enyl)-5-methylidene-1,4-thiazepane
CID 54024792
6-(3-Methylbut-2-enyl)-5-methylidene-1,4-thiazepane
CID 54109928
2-methyl-4-[(1E,3S,5Z)-2,3,6-trimethylocta-1,5-dienyl]-2,3-dihydro-1,3-thiazole
CID 59084386
(2S)-3-methylidene-2-(2-methylsulfanylethyl)-5-propyl-1,2-dihydropyrrole
CID 118401251
N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]cyclobuten-1-amine
CID 129299202
1-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)-N-ethylethanamine
CID 130217337
3-methyl-N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropan-2-yl]hexa-1,5-dien-2-amine
CID 134568405
5-methyl-3-N-prop-1-en-2-yl-2-N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropan-2-yl]hex-1-ene-2,3-diamine
CID 134568422
(3E)-N-[3-methyl-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbut-3-en-2-yl]hexa-1,3,5-trien-2-amine
CID 134568442
5-methyl-2-N-[3-methyl-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbut-3-en-2-yl]-3-N-prop-1-en-2-ylhex-1-ene-2,3-diamine
CID 134568463
1-N-prop-1-en-2-yl-3-N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropan-2-yl]but-3-ene-1,3-diamine
CID 134568496
acetylene;3-methyl-N-(3-methylbut-1-en-2-yl)-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbut-3-en-2-amine;2-methylpropane;2-methylprop-1-ene
CID 143996603

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydrothiophen-5-yl)prop-1-en-2-yl]-2,4-dimethylpent-1-en-3-amine?
The IUPAC name of N-[3-(2,3-dihydrothiophen-5-yl)prop-1-en-2-yl]-2,4-dimethylpent-1-en-3-amine (CID 145258815) is N-[3-(2,3-dihydrothiophen-5-yl)prop-1-en-2-yl]-2,4-dimethylpent-1-en-3-amine.
What is the SMILES notation for N-[3-(2,3-dihydrothiophen-5-yl)prop-1-en-2-yl]-2,4-dimethylpent-1-en-3-amine?
The canonical SMILES for N-[3-(2,3-dihydrothiophen-5-yl)prop-1-en-2-yl]-2,4-dimethylpent-1-en-3-amine is C=C(CC1=CCCS1)NC(C(=C)C)C(C)C.
What is the InChIKey of N-[3-(2,3-dihydrothiophen-5-yl)prop-1-en-2-yl]-2,4-dimethylpent-1-en-3-amine?
The InChIKey is NZDMYZRPELNCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-10(2)14(11(3)4)15-12(5)9-13-7-6-8-16-13/h7,11,14-15H,1,5-6,8-9H2,2-4H3.
What are the key properties of N-[3-(2,3-dihydrothiophen-5-yl)prop-1-en-2-yl]-2,4-dimethylpent-1-en-3-amine?
N-[3-(2,3-dihydrothiophen-5-yl)prop-1-en-2-yl]-2,4-dimethylpent-1-en-3-amine has a molecular weight of 237.41 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydrothiophen-5-yl)prop-1-en-2-yl]-2,4-dimethylpent-1-en-3-amine is sourced from PubChem (CID 145258815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).