1-[1-[di(cyclobutyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine

C15H28N2 — CID 112743399

IUPAC1-[1-[di(cyclobutyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1C(C1CCC1)C1CCC1
InChIInChI=1S/C15H28N2/c1-16-11-14-9-4-10-17(14)15(12-5-2-6-12)13-7-3-8-13/h12-16H,2-11H2,1H3
InChIKeyXFVJZPPFKYBQCR-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.64
Rot. Bonds5

About 1-[1-[di(cyclobutyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine

1-[1-[di(cyclobutyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 112743399) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-[1-[di(cyclobutyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[di(cyclobutyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
PubChem CID112743399
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-[1-[di(cyclobutyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1C(C1CCC1)C1CCC1
InChIInChI=1S/C15H28N2/c1-16-11-14-9-4-10-17(14)15(12-5-2-6-12)13-7-3-8-13/h12-16H,2-11H2,1H3
InChIKeyXFVJZPPFKYBQCR-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-heptan-4-ylpyrrolidin-2-yl)-N-methylmethanamine
CID 115316239
1-[1-[1-(4-chlorophenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316021
N-cyclohexyl-2-[2-(methylaminomethyl)piperidin-1-yl]propanamide
CID 63249992
1-[1-[1-(furan-2-yl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249658
N-methyl-1-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-2-yl]methanamine
CID 114080437
1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316199
N-methyl-1-[1-[1-(4-propylphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 115316066
1-[1-[1-(4-bromothiophen-2-yl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 107355064
N-methyl-1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]methanamine
CID 113285223
N-methyl-1-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-yl]methanamine
CID 115316141
N-[(1-butan-2-ylpyrrolidin-2-yl)methyl]cyclopropanamine
CID 79456261
1-[1-[1-(4-ethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249069

Frequently Asked Questions

What is the IUPAC name of 1-[1-[di(cyclobutyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[di(cyclobutyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine (CID 112743399) is 1-[1-[di(cyclobutyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[di(cyclobutyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[di(cyclobutyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine is CNCC1CCCN1C(C1CCC1)C1CCC1.
What is the InChIKey of 1-[1-[di(cyclobutyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is XFVJZPPFKYBQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-16-11-14-9-4-10-17(14)15(12-5-2-6-12)13-7-3-8-13/h12-16H,2-11H2,1H3.
What are the key properties of 1-[1-[di(cyclobutyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine?
1-[1-[di(cyclobutyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 236.40 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[di(cyclobutyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 112743399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).