N-(1-thiophen-2-ylpropan-2-yl)hept-6-en-2-amine

C14H23NS — CID 115906838

IUPACN-(1-thiophen-2-ylpropan-2-yl)hept-6-en-2-amine
SMILESC=CCCCC(C)NC(C)Cc1cccs1
InChIInChI=1S/C14H23NS/c1-4-5-6-8-12(2)15-13(3)11-14-9-7-10-16-14/h4,7,9-10,12-13,15H,1,5-6,8,11H2,2-3H3
InChIKeyGKPMRKRAFKYTAG-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.01
Rot. Bonds8

About N-(1-thiophen-2-ylpropan-2-yl)hept-6-en-2-amine

N-(1-thiophen-2-ylpropan-2-yl)hept-6-en-2-amine (PubChem CID 115906838) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-(1-thiophen-2-ylpropan-2-yl)hept-6-en-2-amine.

Molecular Properties

Compound NameN-(1-thiophen-2-ylpropan-2-yl)hept-6-en-2-amine
PubChem CID115906838
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-(1-thiophen-2-ylpropan-2-yl)hept-6-en-2-amine
SMILESC=CCCCC(C)NC(C)Cc1cccs1
InChIInChI=1S/C14H23NS/c1-4-5-6-8-12(2)15-13(3)11-14-9-7-10-16-14/h4,7,9-10,12-13,15H,1,5-6,8,11H2,2-3H3
InChIKeyGKPMRKRAFKYTAG-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(thiophen-2-ylmethyl)hept-6-en-2-amine
CID 115908870
N-(1-thiophen-2-ylpropan-2-yl)nonan-2-amine
CID 43692705
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
4-methylsulfinyl-N-(1-thiophen-2-ylpropan-2-yl)butan-2-amine
CID 115893295
(2S)-N-(thiophen-2-ylmethyl)hex-5-en-2-amine
CID 97358797
N-(3-thiophen-2-ylpropyl)hex-5-en-2-amine
CID 104583720
N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine
CID 43783115
N-(1-thiophen-3-ylpropan-2-yl)hex-5-en-2-amine
CID 104581872
(E)-N-(1-thiophen-2-ylpropan-2-yl)pent-3-en-1-amine
CID 115890239
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
N-[1-(3-methylphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 43783062
N-[cyclopentyl(thiophen-2-yl)methyl]hex-5-en-2-amine
CID 113437878

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylpropan-2-yl)hept-6-en-2-amine?
The IUPAC name of N-(1-thiophen-2-ylpropan-2-yl)hept-6-en-2-amine (CID 115906838) is N-(1-thiophen-2-ylpropan-2-yl)hept-6-en-2-amine.
What is the SMILES notation for N-(1-thiophen-2-ylpropan-2-yl)hept-6-en-2-amine?
The canonical SMILES for N-(1-thiophen-2-ylpropan-2-yl)hept-6-en-2-amine is C=CCCCC(C)NC(C)Cc1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylpropan-2-yl)hept-6-en-2-amine?
The InChIKey is GKPMRKRAFKYTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-4-5-6-8-12(2)15-13(3)11-14-9-7-10-16-14/h4,7,9-10,12-13,15H,1,5-6,8,11H2,2-3H3.
What are the key properties of N-(1-thiophen-2-ylpropan-2-yl)hept-6-en-2-amine?
N-(1-thiophen-2-ylpropan-2-yl)hept-6-en-2-amine has a molecular weight of 237.41 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylpropan-2-yl)hept-6-en-2-amine is sourced from PubChem (CID 115906838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).