N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine

C13H23NS — CID 81398404

IUPACN-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine
SMILESCCCCCCCN[C@H](C)c1cccs1
InChIInChI=1S/C13H23NS/c1-3-4-5-6-7-10-14-12(2)13-9-8-11-15-13/h8-9,11-12,14H,3-7,10H2,1-2H3/t12-/m1/s1
InChIKeyDNCWFQIJCSZSMU-GFCCVEGCSA-N
MW225.40 g/mol
LogP4.37
Rot. Bonds8

About N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine

N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine (PubChem CID 81398404) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine
PubChem CID81398404
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC NameN-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine
SMILESCCCCCCCN[C@H](C)c1cccs1
InChIInChI=1S/C13H23NS/c1-3-4-5-6-7-10-14-12(2)13-9-8-11-15-13/h8-9,11-12,14H,3-7,10H2,1-2H3/t12-/m1/s1
InChIKeyDNCWFQIJCSZSMU-GFCCVEGCSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 54.37
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

5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol
CID 81408361
N-(dithiophen-2-ylmethyl)octan-1-amine
CID 115567135
4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine
CID 83156028
3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81408503
N-(1-thiophen-2-ylbutyl)decan-1-amine
CID 63491380
(1S)-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-thiophen-2-ylethanamine
CID 104562673
5,5,5-trifluoro-N-(1-thiophen-2-ylethyl)pentan-1-amine
CID 115516778
2-(pentylamino)-1-thiophen-2-ylpropan-1-ol
CID 82314420
4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile
CID 81407892
ethyl 6-[[(1R)-1-thiophen-2-ylethyl]amino]hexanoate
CID 81408777
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
2-methyl-5-(1-thiophen-2-ylethylamino)pentan-1-ol
CID 103905543

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine?
The IUPAC name of N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine (CID 81398404) is N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine.
What is the SMILES notation for N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine?
The canonical SMILES for N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine is CCCCCCCN[C@H](C)c1cccs1.
What is the InChIKey of N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine?
The InChIKey is DNCWFQIJCSZSMU-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H23NS/c1-3-4-5-6-7-10-14-12(2)13-9-8-11-15-13/h8-9,11-12,14H,3-7,10H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine?
N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine has a molecular weight of 225.40 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine is sourced from PubChem (CID 81398404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).