N-[(5-tert-butylthiophen-2-yl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C18H32N2S — CID 106605239

IUPACN-[(5-tert-butylthiophen-2-yl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCC(C)CN(Cc1ccc(C(C)(C)C)s1)CC1CCCN1
InChIInChI=1S/C18H32N2S/c1-14(2)11-20(12-15-7-6-10-19-15)13-16-8-9-17(21-16)18(3,4)5/h8-9,14-15,19H,6-7,10-13H2,1-5H3
InChIKeyBAJRLRYWYLIXDN-UHFFFAOYSA-N
MW308.54 g/mol
LogP4.26
Rot. Bonds6

About N-[(5-tert-butylthiophen-2-yl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine

N-[(5-tert-butylthiophen-2-yl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106605239) has the molecular formula C18H32N2S and a molecular weight of 308.54 g/mol. Its IUPAC name is N-[(5-tert-butylthiophen-2-yl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(5-tert-butylthiophen-2-yl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106605239
Molecular FormulaC18H32N2S
Molecular Weight308.54 g/mol
Exact Mass308.23
IUPAC NameN-[(5-tert-butylthiophen-2-yl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCC(C)CN(Cc1ccc(C(C)(C)C)s1)CC1CCCN1
InChIInChI=1S/C18H32N2S/c1-14(2)11-20(12-15-7-6-10-19-15)13-16-8-9-17(21-16)18(3,4)5/h8-9,14-15,19H,6-7,10-13H2,1-5H3
InChIKeyBAJRLRYWYLIXDN-UHFFFAOYSA-N
XLogP4.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.54
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-tert-butylthiophen-2-yl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine with MolForge

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605584
N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605191
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 61378673
N-[(4-iodophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617091
N-[(4-chlorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605569
2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605712
4-fluoro-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 107699282
6-methyl-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridin-3-ol
CID 106605471
N-[(3-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605110
2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605379
2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605468
N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605408

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butylthiophen-2-yl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-[(5-tert-butylthiophen-2-yl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106605239) is N-[(5-tert-butylthiophen-2-yl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(5-tert-butylthiophen-2-yl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(5-tert-butylthiophen-2-yl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CC(C)CN(Cc1ccc(C(C)(C)C)s1)CC1CCCN1.
What is the InChIKey of N-[(5-tert-butylthiophen-2-yl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is BAJRLRYWYLIXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-14(2)11-20(12-15-7-6-10-19-15)13-16-8-9-17(21-16)18(3,4)5/h8-9,14-15,19H,6-7,10-13H2,1-5H3.
What are the key properties of N-[(5-tert-butylthiophen-2-yl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
N-[(5-tert-butylthiophen-2-yl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 308.54 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butylthiophen-2-yl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106605239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).