N-(1-thiophen-3-ylpropan-2-yl)heptan-2-amine

C14H25NS — CID 61473529

IUPACN-(1-thiophen-3-ylpropan-2-yl)heptan-2-amine
SMILESCCCCCC(C)NC(C)Cc1ccsc1
InChIInChI=1S/C14H25NS/c1-4-5-6-7-12(2)15-13(3)10-14-8-9-16-11-14/h8-9,11-13,15H,4-7,10H2,1-3H3
InChIKeyHHPSPOWBUMYTHS-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.24
Rot. Bonds8

About N-(1-thiophen-3-ylpropan-2-yl)heptan-2-amine

N-(1-thiophen-3-ylpropan-2-yl)heptan-2-amine (PubChem CID 61473529) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is N-(1-thiophen-3-ylpropan-2-yl)heptan-2-amine.

Molecular Properties

Compound NameN-(1-thiophen-3-ylpropan-2-yl)heptan-2-amine
PubChem CID61473529
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC NameN-(1-thiophen-3-ylpropan-2-yl)heptan-2-amine
SMILESCCCCCC(C)NC(C)Cc1ccsc1
InChIInChI=1S/C14H25NS/c1-4-5-6-7-12(2)15-13(3)10-14-8-9-16-11-14/h8-9,11-13,15H,4-7,10H2,1-3H3
InChIKeyHHPSPOWBUMYTHS-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dimethyloctyl)thiophene
CID 22501098
N-(1-thiophen-3-ylpropan-2-yl)hex-5-en-2-amine
CID 104581872
3-(2-hexyldecyl)thiophene
CID 67456553
2-(1-thiophen-3-ylpropan-2-ylamino)propan-1-ol
CID 115724718
1-thiophen-3-ylundecan-2-amine
CID 65427688
1-thiophen-3-ylheptan-2-amine
CID 61077742
1-cyclopropyl-N-(1-thiophen-3-ylpropan-2-yl)butan-1-amine
CID 115769840
1-thiophen-3-yltetradecan-2-ol
CID 105090220
3-(2-bromoicosyl)thiophene
CID 89438780
3-(2-bromotridecyl)thiophene
CID 65428156
4-(4-methoxyphenyl)-N-(1-thiophen-3-ylpropan-2-yl)butan-2-amine
CID 61473299
2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol
CID 115724134

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-3-ylpropan-2-yl)heptan-2-amine?
The IUPAC name of N-(1-thiophen-3-ylpropan-2-yl)heptan-2-amine (CID 61473529) is N-(1-thiophen-3-ylpropan-2-yl)heptan-2-amine.
What is the SMILES notation for N-(1-thiophen-3-ylpropan-2-yl)heptan-2-amine?
The canonical SMILES for N-(1-thiophen-3-ylpropan-2-yl)heptan-2-amine is CCCCCC(C)NC(C)Cc1ccsc1.
What is the InChIKey of N-(1-thiophen-3-ylpropan-2-yl)heptan-2-amine?
The InChIKey is HHPSPOWBUMYTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-4-5-6-7-12(2)15-13(3)10-14-8-9-16-11-14/h8-9,11-13,15H,4-7,10H2,1-3H3.
What are the key properties of N-(1-thiophen-3-ylpropan-2-yl)heptan-2-amine?
N-(1-thiophen-3-ylpropan-2-yl)heptan-2-amine has a molecular weight of 239.43 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-3-ylpropan-2-yl)heptan-2-amine is sourced from PubChem (CID 61473529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).