N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-2-amine

C9H17NS — CID 57284310

IUPACN-[(2-methyl-3H-thiophen-2-yl)methyl]propan-2-amine
SMILESCC(C)NCC1(C)CC=CS1
InChIInChI=1S/C9H17NS/c1-8(2)10-7-9(3)5-4-6-11-9/h4,6,8,10H,5,7H2,1-3H3
InChIKeyMOKGBMDGMPWGLE-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.39
Rot. Bonds3

About N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-2-amine

N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-2-amine (PubChem CID 57284310) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-methyl-3H-thiophen-2-yl)methyl]propan-2-amine
PubChem CID57284310
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC NameN-[(2-methyl-3H-thiophen-2-yl)methyl]propan-2-amine
SMILESCC(C)NCC1(C)CC=CS1
InChIInChI=1S/C9H17NS/c1-8(2)10-7-9(3)5-4-6-11-9/h4,6,8,10H,5,7H2,1-3H3
InChIKeyMOKGBMDGMPWGLE-UHFFFAOYSA-N
XLogP2.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]but-3-en-1-amine
CID 102641024
N-ethyl-2-propyl-2,3-dihydrothiophen-3-amine
CID 54101904
N,2-dipropyl-2,3-dihydrothiophen-3-amine
CID 54478450
N-ethyl-5-prop-2-enylthiolan-3-amine
CID 57017771
2-methyl-N,2-dipropyl-3H-thiophen-3-amine
CID 57027759
2-methyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-1-amine
CID 57186297
N-[(2-methyl-3H-thiophen-2-yl)methyl]ethanamine
CID 57261495
N-ethyl-2-methyl-2-propyl-3H-thiophen-3-amine
CID 57262193
N-(3-methylsulfanylpropyl)but-3-en-1-amine
CID 57591259
N-(3-methylsulfanylpropyl)pent-4-en-1-amine
CID 64315148
(2R)-N-(2,3-dihydrothiophen-3-ylmethyl)butan-2-amine
CID 66612967
(7Z)-2,3-dimethyl-3,4,5,6-tetrahydro-2H-1,4-thiazocine
CID 68318449

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-2-amine (CID 57284310) is N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-2-amine is CC(C)NCC1(C)CC=CS1.
What is the InChIKey of N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-2-amine?
The InChIKey is MOKGBMDGMPWGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-8(2)10-7-9(3)5-4-6-11-9/h4,6,8,10H,5,7H2,1-3H3.
What are the key properties of N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-2-amine?
N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-2-amine has a molecular weight of 171.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 57284310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).