N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine

C13H23N3S — CID 83074139

IUPACN-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCCC1(CN(C)Cc2csc(C)n2)CCCN1
InChIInChI=1S/C13H23N3S/c1-4-13(6-5-7-14-13)10-16(3)8-12-9-17-11(2)15-12/h9,14H,4-8,10H2,1-3H3
InChIKeyKBDMNJZJIUOGOV-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.42
Rot. Bonds5

About N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine

N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 83074139) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID83074139
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCCC1(CN(C)Cc2csc(C)n2)CCCN1
InChIInChI=1S/C13H23N3S/c1-4-13(6-5-7-14-13)10-16(3)8-12-9-17-11(2)15-12/h9,14H,4-8,10H2,1-3H3
InChIKeyKBDMNJZJIUOGOV-UHFFFAOYSA-N
XLogP2.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-pyridin-2-ylmethanamine
CID 83074255
N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 83073731
4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-2-methyl-1,3-thiazole
CID 64944057
1-(2-bromophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine
CID 83074259
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86812794
1-cyclopropyl-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine
CID 83073465
potassium trifluoro-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]boranuide
CID 63704903
N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]but-2-ene-1,4-diamine
CID 77110787
1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 114430985
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-ylpropan-1-amine
CID 62214312
N-methyl-2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
CID 71988459

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine (CID 83074139) is N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine is CCC1(CN(C)Cc2csc(C)n2)CCCN1.
What is the InChIKey of N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is KBDMNJZJIUOGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-13(6-5-7-14-13)10-16(3)8-12-9-17-11(2)15-12/h9,14H,4-8,10H2,1-3H3.
What are the key properties of N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 253.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 83074139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).