3-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-amine

C15H22N2OS — CID 55226633

IUPAC3-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-amine
SMILESCN(Cc1sccc1C#CCN)CC1CCOCC1
InChIInChI=1S/C15H22N2OS/c1-17(11-13-4-8-18-9-5-13)12-15-14(3-2-7-16)6-10-19-15/h6,10,13H,4-5,7-9,11-12,16H2,1H3
InChIKeyRLRPBNGSGAMEIX-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.92
Rot. Bonds4

About 3-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-amine

3-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-amine (PubChem CID 55226633) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-amine
PubChem CID55226633
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name3-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-amine
SMILESCN(Cc1sccc1C#CCN)CC1CCOCC1
InChIInChI=1S/C15H22N2OS/c1-17(11-13-4-8-18-9-5-13)12-15-14(3-2-7-16)6-10-19-15/h6,10,13H,4-5,7-9,11-12,16H2,1H3
InChIKeyRLRPBNGSGAMEIX-UHFFFAOYSA-N
XLogP1.92
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(oxolan-3-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine
CID 63557089
3-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-enoic acid
CID 76951619
3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-3-ylmethyl)thiophene-2-carboxamide
CID 63801465
3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 55238418
3-[2-(cyclopentylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine
CID 66322666
3-[5-[[methyl(oxan-4-ylmethyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 63712300
N-[(3-bromothiophen-2-yl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 55211598
3-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl-methylamino]butanenitrile
CID 63223288
2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline
CID 62385324
N'-methyl-N'-(oxan-4-ylmethyl)but-2-ene-1,4-diamine
CID 77110218
3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide
CID 63799691
N-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine
CID 82747867

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-amine?
The IUPAC name of 3-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-amine (CID 55226633) is 3-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-amine?
The canonical SMILES for 3-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-amine is CN(Cc1sccc1C#CCN)CC1CCOCC1.
What is the InChIKey of 3-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-amine?
The InChIKey is RLRPBNGSGAMEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-17(11-13-4-8-18-9-5-13)12-15-14(3-2-7-16)6-10-19-15/h6,10,13H,4-5,7-9,11-12,16H2,1H3.
What are the key properties of 3-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-amine?
3-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-amine has a molecular weight of 278.42 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-amine is sourced from PubChem (CID 55226633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).