N-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine

C13H23NS — CID 80526217

IUPACN-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine
SMILESCCC(CC)NCC(C)(C)c1cccs1
InChIInChI=1S/C13H23NS/c1-5-11(6-2)14-10-13(3,4)12-8-7-9-15-12/h7-9,11,14H,5-6,10H2,1-4H3
InChIKeyVDDGAPNILTWNSO-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.80
Rot. Bonds6

About N-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine

N-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine (PubChem CID 80526217) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is N-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine.

Molecular Properties

Compound NameN-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine
PubChem CID80526217
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC NameN-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine
SMILESCCC(CC)NCC(C)(C)c1cccs1
InChIInChI=1S/C13H23NS/c1-5-11(6-2)14-10-13(3,4)12-8-7-9-15-12/h7-9,11,14H,5-6,10H2,1-4H3
InChIKeyVDDGAPNILTWNSO-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]butanoate
CID 115353516
N-[1-(4-ethylphenyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526466
N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylbutan-1-amine
CID 80526209
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80525978
2-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]phenol
CID 80525988
N-[1-(5-fluoro-2-pyridinyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 115938783
2-methyl-2-thiophen-2-ylpropan-1-amine
CID 51664087
ethane;2-(2-methylbutan-2-yl)thiophene
CID 142062871
N-(2-methyl-2-thiophen-2-ylpropyl)-4-phenylbutan-2-amine
CID 78963724
2-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]butanoic acid
CID 115250143
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-pentylpropanamide
CID 78963633
2-methyl-2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]butanoic acid
CID 80527697

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine?
The IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine (CID 80526217) is N-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine.
What is the SMILES notation for N-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine?
The canonical SMILES for N-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine is CCC(CC)NCC(C)(C)c1cccs1.
What is the InChIKey of N-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine?
The InChIKey is VDDGAPNILTWNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-5-11(6-2)14-10-13(3,4)12-8-7-9-15-12/h7-9,11,14H,5-6,10H2,1-4H3.
What are the key properties of N-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine?
N-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine has a molecular weight of 225.40 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine is sourced from PubChem (CID 80526217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).