1-(1-benzhydrylpyrrolidin-3-yl)-N-methylmethanamine;ethane

C23H36N2 — CID 91616896

IUPAC1-(1-benzhydrylpyrrolidin-3-yl)-N-methylmethanamine;ethane
SMILESCC.CC.CNCC1CCN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H24N2.2C2H6/c1-20-14-16-12-13-21(15-16)19(17-8-4-2-5-9-17)18-10-6-3-7-11-18;2*1-2/h2-11,16,19-20H,12-15H2,1H3;2*1-2H3
InChIKeyIIZKAQAHRWWIPZ-UHFFFAOYSA-N
MW340.56 g/mol
LogP5.37
Rot. Bonds5

About 1-(1-benzhydrylpyrrolidin-3-yl)-N-methylmethanamine;ethane

1-(1-benzhydrylpyrrolidin-3-yl)-N-methylmethanamine;ethane (PubChem CID 91616896) has the molecular formula C23H36N2 and a molecular weight of 340.56 g/mol. Its IUPAC name is 1-(1-benzhydrylpyrrolidin-3-yl)-N-methylmethanamine;ethane.

Molecular Properties

Compound Name1-(1-benzhydrylpyrrolidin-3-yl)-N-methylmethanamine;ethane
PubChem CID91616896
Molecular FormulaC23H36N2
Molecular Weight340.56 g/mol
Exact Mass340.29
IUPAC Name1-(1-benzhydrylpyrrolidin-3-yl)-N-methylmethanamine;ethane
SMILESCC.CC.CNCC1CCN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H24N2.2C2H6/c1-20-14-16-12-13-21(15-16)19(17-8-4-2-5-9-17)18-10-6-3-7-11-18;2*1-2/h2-11,16,19-20H,12-15H2,1H3;2*1-2H3
InChIKeyIIZKAQAHRWWIPZ-UHFFFAOYSA-N
XLogP5.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.56
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-(1-phenylethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119914413
N-methyl-1-[1-(1-phenylbutyl)piperidin-3-yl]methanamine
CID 61206343
N-methyl-1-[1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922236
1-benzhydryl-3-[(1-benzhydrylpyrrolidin-3-yl)methyl]urea
CID 11294480
2-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]benzene-1,3-diol
CID 107711411
1-benzhydryl-3-ethylpiperidine
CID 22970041
2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine
CID 113419035
3-benzhydryl-1-[(1-benzhydrylpyrrolidin-3-yl)methyl]-1-methylurea
CID 58911298
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-phenylpropanamide;hydrochloride
CID 119922213
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylbutan-1-one
CID 63264037
1-[1-[1-(furan-2-yl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62512099

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzhydrylpyrrolidin-3-yl)-N-methylmethanamine;ethane?
The IUPAC name of 1-(1-benzhydrylpyrrolidin-3-yl)-N-methylmethanamine;ethane (CID 91616896) is 1-(1-benzhydrylpyrrolidin-3-yl)-N-methylmethanamine;ethane.
What is the SMILES notation for 1-(1-benzhydrylpyrrolidin-3-yl)-N-methylmethanamine;ethane?
The canonical SMILES for 1-(1-benzhydrylpyrrolidin-3-yl)-N-methylmethanamine;ethane is CC.CC.CNCC1CCN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-(1-benzhydrylpyrrolidin-3-yl)-N-methylmethanamine;ethane?
The InChIKey is IIZKAQAHRWWIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2.2C2H6/c1-20-14-16-12-13-21(15-16)19(17-8-4-2-5-9-17)18-10-6-3-7-11-18;2*1-2/h2-11,16,19-20H,12-15H2,1H3;2*1-2H3.
What are the key properties of 1-(1-benzhydrylpyrrolidin-3-yl)-N-methylmethanamine;ethane?
1-(1-benzhydrylpyrrolidin-3-yl)-N-methylmethanamine;ethane has a molecular weight of 340.56 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzhydrylpyrrolidin-3-yl)-N-methylmethanamine;ethane is sourced from PubChem (CID 91616896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).