N-[cyclopentyl(thiophen-2-yl)methyl]hex-5-en-2-amine

C16H25NS — CID 113437878

IUPACN-[cyclopentyl(thiophen-2-yl)methyl]hex-5-en-2-amine
SMILESC=CCCC(C)NC(c1cccs1)C1CCCC1
InChIInChI=1S/C16H25NS/c1-3-4-8-13(2)17-16(14-9-5-6-10-14)15-11-7-12-18-15/h3,7,11-14,16-17H,1,4-6,8-10H2,2H3
InChIKeyUUBDGALYYZHZIS-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.92
Rot. Bonds7

About N-[cyclopentyl(thiophen-2-yl)methyl]hex-5-en-2-amine

N-[cyclopentyl(thiophen-2-yl)methyl]hex-5-en-2-amine (PubChem CID 113437878) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is N-[cyclopentyl(thiophen-2-yl)methyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[cyclopentyl(thiophen-2-yl)methyl]hex-5-en-2-amine
PubChem CID113437878
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC NameN-[cyclopentyl(thiophen-2-yl)methyl]hex-5-en-2-amine
SMILESC=CCCC(C)NC(c1cccs1)C1CCCC1
InChIInChI=1S/C16H25NS/c1-3-4-8-13(2)17-16(14-9-5-6-10-14)15-11-7-12-18-15/h3,7,11-14,16-17H,1,4-6,8-10H2,2H3
InChIKeyUUBDGALYYZHZIS-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.92
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

3-N-[cyclopropyl(thiophen-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54983076
N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978
N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43740511
N-[cyclopentyl(thiophen-2-yl)methyl]octan-4-amine
CID 106023478
N-[cyclopentyl(thiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 43740525
1-(4-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 43740581
N-[cyclopentyl(thiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612493
N-[cyclopentyl(thiophen-2-yl)methyl]cyclopropanamine
CID 43754683
1-(4-bromophenyl)-N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 63435762
1-(4-bromothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 107354206
N-[cyclopropyl(thiophen-2-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 62994889
3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-4-methylpentan-1-ol
CID 113350086

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]hex-5-en-2-amine?
The IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]hex-5-en-2-amine (CID 113437878) is N-[cyclopentyl(thiophen-2-yl)methyl]hex-5-en-2-amine.
What is the SMILES notation for N-[cyclopentyl(thiophen-2-yl)methyl]hex-5-en-2-amine?
The canonical SMILES for N-[cyclopentyl(thiophen-2-yl)methyl]hex-5-en-2-amine is C=CCCC(C)NC(c1cccs1)C1CCCC1.
What is the InChIKey of N-[cyclopentyl(thiophen-2-yl)methyl]hex-5-en-2-amine?
The InChIKey is UUBDGALYYZHZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-3-4-8-13(2)17-16(14-9-5-6-10-14)15-11-7-12-18-15/h3,7,11-14,16-17H,1,4-6,8-10H2,2H3.
What are the key properties of N-[cyclopentyl(thiophen-2-yl)methyl]hex-5-en-2-amine?
N-[cyclopentyl(thiophen-2-yl)methyl]hex-5-en-2-amine has a molecular weight of 263.45 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(thiophen-2-yl)methyl]hex-5-en-2-amine is sourced from PubChem (CID 113437878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).