2-[1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile

C12H21N3 — CID 65496978

IUPAC2-[1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile
SMILESCNCC1CCN(CC2(CC#N)CC2)C1
InChIInChI=1S/C12H21N3/c1-14-8-11-2-7-15(9-11)10-12(3-4-12)5-6-13/h11,14H,2-5,7-10H2,1H3
InChIKeyCMRQJOLBDIXDCQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.22
Rot. Bonds5

About 2-[1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile

2-[1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile (PubChem CID 65496978) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile
PubChem CID65496978
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-[1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile
SMILESCNCC1CCN(CC2(CC#N)CC2)C1
InChIInChI=1S/C12H21N3/c1-14-8-11-2-7-15(9-11)10-12(3-4-12)5-6-13/h11,14H,2-5,7-10H2,1H3
InChIKeyCMRQJOLBDIXDCQ-UHFFFAOYSA-N
XLogP1.22
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile
CID 65494259
2-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile
CID 66291202
2-[1-[(3-methylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile
CID 65495067
2-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-3-yl]acetic acid
CID 65496326
2-[3-(methylaminomethyl)piperidin-1-yl]acetonitrile
CID 61206091
2-[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile
CID 65495085
1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511549
2-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopropyl]acetonitrile
CID 115559887
N-methyl-1-[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methanamine
CID 102906426
1-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511607
2-[1-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]cyclopropyl]acetonitrile
CID 129269333
2-[1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclopropyl]acetonitrile
CID 65495407

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile (CID 65496978) is 2-[1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile is CNCC1CCN(CC2(CC#N)CC2)C1.
What is the InChIKey of 2-[1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile?
The InChIKey is CMRQJOLBDIXDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-14-8-11-2-7-15(9-11)10-12(3-4-12)5-6-13/h11,14H,2-5,7-10H2,1H3.
What are the key properties of 2-[1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile?
2-[1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile has a molecular weight of 207.32 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65496978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).