N-propyl-7-thiophen-2-ylhept-1-en-4-amine

C14H23NS — CID 105107893

IUPACN-propyl-7-thiophen-2-ylhept-1-en-4-amine
SMILESC=CCC(CCCc1cccs1)NCCC
InChIInChI=1S/C14H23NS/c1-3-7-13(15-11-4-2)8-5-9-14-10-6-12-16-14/h3,6,10,12-13,15H,1,4-5,7-9,11H2,2H3
InChIKeyYUUZERJHTSJCGL-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.02
Rot. Bonds9

About N-propyl-7-thiophen-2-ylhept-1-en-4-amine

N-propyl-7-thiophen-2-ylhept-1-en-4-amine (PubChem CID 105107893) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-propyl-7-thiophen-2-ylhept-1-en-4-amine.

Molecular Properties

Compound NameN-propyl-7-thiophen-2-ylhept-1-en-4-amine
PubChem CID105107893
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-propyl-7-thiophen-2-ylhept-1-en-4-amine
SMILESC=CCC(CCCc1cccs1)NCCC
InChIInChI=1S/C14H23NS/c1-3-7-13(15-11-4-2)8-5-9-14-10-6-12-16-14/h3,6,10,12-13,15H,1,4-5,7-9,11H2,2H3
InChIKeyYUUZERJHTSJCGL-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

1-methoxy-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 63775708
6-methyl-N-propyl-1-thiophen-2-ylnonan-4-amine
CID 105137843
N-propyl-1-thiophen-2-yldecan-3-amine
CID 115860884
1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105138604
2-methyl-N-propyl-6-thiophen-2-ylhexan-3-amine
CID 63775526
1-(2-bicyclo[2.2.1]heptanyl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105167824
7-thiophen-2-ylhept-1-en-4-ol
CID 105081719
1-(1-methylpyrazol-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105113681
N-(3-thiophen-2-ylpropyl)hex-5-en-2-amine
CID 104583720
1-thiophen-2-yltetradecan-4-ylhydrazine
CID 105298385
N-ethyl-2-methyl-7-thiophen-2-ylhept-1-en-4-amine
CID 105163184
N-(thiophen-2-ylmethyl)oct-7-en-4-amine
CID 115706740

Frequently Asked Questions

What is the IUPAC name of N-propyl-7-thiophen-2-ylhept-1-en-4-amine?
The IUPAC name of N-propyl-7-thiophen-2-ylhept-1-en-4-amine (CID 105107893) is N-propyl-7-thiophen-2-ylhept-1-en-4-amine.
What is the SMILES notation for N-propyl-7-thiophen-2-ylhept-1-en-4-amine?
The canonical SMILES for N-propyl-7-thiophen-2-ylhept-1-en-4-amine is C=CCC(CCCc1cccs1)NCCC.
What is the InChIKey of N-propyl-7-thiophen-2-ylhept-1-en-4-amine?
The InChIKey is YUUZERJHTSJCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-3-7-13(15-11-4-2)8-5-9-14-10-6-12-16-14/h3,6,10,12-13,15H,1,4-5,7-9,11H2,2H3.
What are the key properties of N-propyl-7-thiophen-2-ylhept-1-en-4-amine?
N-propyl-7-thiophen-2-ylhept-1-en-4-amine has a molecular weight of 237.41 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-7-thiophen-2-ylhept-1-en-4-amine is sourced from PubChem (CID 105107893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).