N-[cyclopropyl(thiophen-2-yl)methyl]-3-(2-methylpropoxy)propan-1-amine

C15H25NOS — CID 54982977

IUPACN-[cyclopropyl(thiophen-2-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
SMILESCC(C)COCCCNC(c1cccs1)C1CC1
InChIInChI=1S/C15H25NOS/c1-12(2)11-17-9-4-8-16-15(13-6-7-13)14-5-3-10-18-14/h3,5,10,12-13,15-16H,4,6-9,11H2,1-2H3
InChIKeyGEPNYXXAYQECAD-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.85
Rot. Bonds9

About N-[cyclopropyl(thiophen-2-yl)methyl]-3-(2-methylpropoxy)propan-1-amine

N-[cyclopropyl(thiophen-2-yl)methyl]-3-(2-methylpropoxy)propan-1-amine (PubChem CID 54982977) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[cyclopropyl(thiophen-2-yl)methyl]-3-(2-methylpropoxy)propan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl(thiophen-2-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
PubChem CID54982977
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-[cyclopropyl(thiophen-2-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
SMILESCC(C)COCCCNC(c1cccs1)C1CC1
InChIInChI=1S/C15H25NOS/c1-12(2)11-17-9-4-8-16-15(13-6-7-13)14-5-3-10-18-14/h3,5,10,12-13,15-16H,4,6-9,11H2,1-2H3
InChIKeyGEPNYXXAYQECAD-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 61170868
4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methoxybutan-2-ol
CID 103911516
N-[cyclopropyl(thiophen-2-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326887
(1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine
CID 106452323
tert-butyl N-[3-[[cyclopropyl(thiophen-2-yl)methyl]amino]propyl]carbamate
CID 103910636
N-[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
CID 64776035
N-[(4-tert-butylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
CID 63501793
N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978
methyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetate
CID 60714004
N-[cyclopropyl(thiophen-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981496
4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-3-methylbutan-1-ol
CID 66091284

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(thiophen-2-yl)methyl]-3-(2-methylpropoxy)propan-1-amine?
The IUPAC name of N-[cyclopropyl(thiophen-2-yl)methyl]-3-(2-methylpropoxy)propan-1-amine (CID 54982977) is N-[cyclopropyl(thiophen-2-yl)methyl]-3-(2-methylpropoxy)propan-1-amine.
What is the SMILES notation for N-[cyclopropyl(thiophen-2-yl)methyl]-3-(2-methylpropoxy)propan-1-amine?
The canonical SMILES for N-[cyclopropyl(thiophen-2-yl)methyl]-3-(2-methylpropoxy)propan-1-amine is CC(C)COCCCNC(c1cccs1)C1CC1.
What is the InChIKey of N-[cyclopropyl(thiophen-2-yl)methyl]-3-(2-methylpropoxy)propan-1-amine?
The InChIKey is GEPNYXXAYQECAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-12(2)11-17-9-4-8-16-15(13-6-7-13)14-5-3-10-18-14/h3,5,10,12-13,15-16H,4,6-9,11H2,1-2H3.
What are the key properties of N-[cyclopropyl(thiophen-2-yl)methyl]-3-(2-methylpropoxy)propan-1-amine?
N-[cyclopropyl(thiophen-2-yl)methyl]-3-(2-methylpropoxy)propan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(thiophen-2-yl)methyl]-3-(2-methylpropoxy)propan-1-amine is sourced from PubChem (CID 54982977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).