N,N-dimethyl-1-(2-propyl-3H-thiophen-2-yl)methanamine

C10H19NS — CID 57124125

IUPACN,N-dimethyl-1-(2-propyl-3H-thiophen-2-yl)methanamine
SMILESCCCC1(CN(C)C)CC=CS1
InChIInChI=1S/C10H19NS/c1-4-6-10(9-11(2)3)7-5-8-12-10/h5,8H,4,6-7,9H2,1-3H3
InChIKeyLHOAVRPAOCJQJX-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.74
Rot. Bonds4

About N,N-dimethyl-1-(2-propyl-3H-thiophen-2-yl)methanamine

N,N-dimethyl-1-(2-propyl-3H-thiophen-2-yl)methanamine (PubChem CID 57124125) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-propyl-3H-thiophen-2-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-propyl-3H-thiophen-2-yl)methanamine
PubChem CID57124125
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC NameN,N-dimethyl-1-(2-propyl-3H-thiophen-2-yl)methanamine
SMILESCCCC1(CN(C)C)CC=CS1
InChIInChI=1S/C10H19NS/c1-4-6-10(9-11(2)3)7-5-8-12-10/h5,8H,4,6-7,9H2,1-3H3
InChIKeyLHOAVRPAOCJQJX-UHFFFAOYSA-N
XLogP2.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]ethanamine
CID 57000948
N,N-dimethyl-1-(2-methyl-3H-thiophen-2-yl)methanamine
CID 57002242
N-ethyl-N-[(2-methyl-2,3-dihydrothiophen-3-yl)methyl]ethanamine
CID 57082603
3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)-N,N-dimethylpropan-1-amine
CID 170867123

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-propyl-3H-thiophen-2-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(2-propyl-3H-thiophen-2-yl)methanamine (CID 57124125) is N,N-dimethyl-1-(2-propyl-3H-thiophen-2-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(2-propyl-3H-thiophen-2-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(2-propyl-3H-thiophen-2-yl)methanamine is CCCC1(CN(C)C)CC=CS1.
What is the InChIKey of N,N-dimethyl-1-(2-propyl-3H-thiophen-2-yl)methanamine?
The InChIKey is LHOAVRPAOCJQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-4-6-10(9-11(2)3)7-5-8-12-10/h5,8H,4,6-7,9H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(2-propyl-3H-thiophen-2-yl)methanamine?
N,N-dimethyl-1-(2-propyl-3H-thiophen-2-yl)methanamine has a molecular weight of 185.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-propyl-3H-thiophen-2-yl)methanamine is sourced from PubChem (CID 57124125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).