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

C14H24N2S — CID 63142751

IUPACN-[(3-methylpyrrolidin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1cccs1)CC1(C)CCNC1
InChIInChI=1S/C14H24N2S/c1-12(2)16(9-13-5-4-8-17-13)11-14(3)6-7-15-10-14/h4-5,8,12,15H,6-7,9-11H2,1-3H3
InChIKeyRBTKEYITWDCPFX-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.96
Rot. Bonds5

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

N-[(3-methylpyrrolidin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine (PubChem CID 63142751) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[(3-methylpyrrolidin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(3-methylpyrrolidin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
PubChem CID63142751
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[(3-methylpyrrolidin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1cccs1)CC1(C)CCNC1
InChIInChI=1S/C14H24N2S/c1-12(2)16(9-13-5-4-8-17-13)11-14(3)6-7-15-10-14/h4-5,8,12,15H,6-7,9-11H2,1-3H3
InChIKeyRBTKEYITWDCPFX-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylpiperidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 104594909
N-[(4-methylpiperidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 63122818
N-[(3-chlorophenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride
CID 120898515
1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine
CID 81171454
N-propan-2-yl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709337
3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 63135259
N-methyl-N-[(4-methylpiperidin-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 79488257
2-[1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetonitrile
CID 65494867
2-[[(3-methylpyrrolidin-3-yl)methyl-propan-2-ylamino]methyl]-3H-quinazolin-4-one;hydrochloride
CID 137133495
N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79488254
1-piperazin-1-yl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-one;hydrochloride
CID 120980871
2,2-dimethyl-5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 79865626

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylpyrrolidin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine?
The IUPAC name of N-[(3-methylpyrrolidin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine (CID 63142751) is N-[(3-methylpyrrolidin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[(3-methylpyrrolidin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-[(3-methylpyrrolidin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine is CC(C)N(Cc1cccs1)CC1(C)CCNC1.
What is the InChIKey of N-[(3-methylpyrrolidin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine?
The InChIKey is RBTKEYITWDCPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-12(2)16(9-13-5-4-8-17-13)11-14(3)6-7-15-10-14/h4-5,8,12,15H,6-7,9-11H2,1-3H3.
What are the key properties of N-[(3-methylpyrrolidin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine?
N-[(3-methylpyrrolidin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine has a molecular weight of 252.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylpyrrolidin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 63142751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).