N,N,4-trimethyl-1-[2-(thiophen-2-ylmethylamino)ethyl]pyrrolidin-3-amine

C14H25N3S — CID 81469991

IUPACN,N,4-trimethyl-1-[2-(thiophen-2-ylmethylamino)ethyl]pyrrolidin-3-amine
SMILESCC1CN(CCNCc2cccs2)CC1N(C)C
InChIInChI=1S/C14H25N3S/c1-12-10-17(11-14(12)16(2)3)7-6-15-9-13-5-4-8-18-13/h4-5,8,12,14-15H,6-7,9-11H2,1-3H3
InChIKeyWTXFQLDEONXXDH-UHFFFAOYSA-N
MW267.44 g/mol
LogP1.72
Rot. Bonds6

About N,N,4-trimethyl-1-[2-(thiophen-2-ylmethylamino)ethyl]pyrrolidin-3-amine

N,N,4-trimethyl-1-[2-(thiophen-2-ylmethylamino)ethyl]pyrrolidin-3-amine (PubChem CID 81469991) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N,N,4-trimethyl-1-[2-(thiophen-2-ylmethylamino)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-[2-(thiophen-2-ylmethylamino)ethyl]pyrrolidin-3-amine
PubChem CID81469991
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN,N,4-trimethyl-1-[2-(thiophen-2-ylmethylamino)ethyl]pyrrolidin-3-amine
SMILESCC1CN(CCNCc2cccs2)CC1N(C)C
InChIInChI=1S/C14H25N3S/c1-12-10-17(11-14(12)16(2)3)7-6-15-9-13-5-4-8-18-13/h4-5,8,12,14-15H,6-7,9-11H2,1-3H3
InChIKeyWTXFQLDEONXXDH-UHFFFAOYSA-N
XLogP1.72
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(4-bromothiophen-2-yl)methylamino]ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81469272
N,N-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrrolidin-3-amine
CID 63167356
N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine
CID 81469093
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 79924900
2-(3,4-dimethylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 79184426
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-thiophen-2-ylethanamine
CID 66369855
2-(2-azaspiro[4.4]nonan-2-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 114279581
3-piperidin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28657357
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 55216427
2-(3-methoxy-3-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 107395657
N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-2-thiophen-2-ylethanamine
CID 62888898
N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61151130

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-[2-(thiophen-2-ylmethylamino)ethyl]pyrrolidin-3-amine?
The IUPAC name of N,N,4-trimethyl-1-[2-(thiophen-2-ylmethylamino)ethyl]pyrrolidin-3-amine (CID 81469991) is N,N,4-trimethyl-1-[2-(thiophen-2-ylmethylamino)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N,4-trimethyl-1-[2-(thiophen-2-ylmethylamino)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N,N,4-trimethyl-1-[2-(thiophen-2-ylmethylamino)ethyl]pyrrolidin-3-amine is CC1CN(CCNCc2cccs2)CC1N(C)C.
What is the InChIKey of N,N,4-trimethyl-1-[2-(thiophen-2-ylmethylamino)ethyl]pyrrolidin-3-amine?
The InChIKey is WTXFQLDEONXXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-12-10-17(11-14(12)16(2)3)7-6-15-9-13-5-4-8-18-13/h4-5,8,12,14-15H,6-7,9-11H2,1-3H3.
What are the key properties of N,N,4-trimethyl-1-[2-(thiophen-2-ylmethylamino)ethyl]pyrrolidin-3-amine?
N,N,4-trimethyl-1-[2-(thiophen-2-ylmethylamino)ethyl]pyrrolidin-3-amine has a molecular weight of 267.44 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-[2-(thiophen-2-ylmethylamino)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 81469991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).