N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine;molecular hydrogen

C9H22N2 — CID 170747493

IUPACN-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine;molecular hydrogen
SMILESCCN(C)CC1NCCC1C.[H][H]
InChIInChI=1S/C9H20N2.H2/c1-4-11(3)7-9-8(2)5-6-10-9;/h8-10H,4-7H2,1-3H3;1H
InChIKeyRFYBXRQJYYKWQJ-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.18
Rot. Bonds3

About N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine;molecular hydrogen

N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine;molecular hydrogen (PubChem CID 170747493) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine;molecular hydrogen.

Molecular Properties

Compound NameN-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine;molecular hydrogen
PubChem CID170747493
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC NameN-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine;molecular hydrogen
SMILESCCN(C)CC1NCCC1C.[H][H]
InChIInChI=1S/C9H20N2.H2/c1-4-11(3)7-9-8(2)5-6-10-9;/h8-10H,4-7H2,1-3H3;1H
InChIKeyRFYBXRQJYYKWQJ-UHFFFAOYSA-N
XLogP1.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-(3-methylpyrrolidin-2-yl)methanamine
CID 103846085
N,2-dimethyl-N-[(3-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 102775601
2-methoxy-N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine
CID 102775761
N-methyl-1-(3-methylpyrrolidin-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 102775633
N-methyl-1-(1-methylpyrrolidin-2-yl)-N-[(3-methylpyrrolidin-2-yl)methyl]methanamine
CID 102776104
N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]cyclopentanamine
CID 102775591
N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(3-methylpyrrolidin-2-yl)methyl]methanamine
CID 102776007
1-cyclopropyl-N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine
CID 102775636
1-cyclopentyl-N-methyl-N-[(3-methylpiperidin-2-yl)methyl]methanamine
CID 107069267
N,2-dimethyl-N-[(3-methylpiperidin-2-yl)methyl]propan-1-amine
CID 107069000
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine
CID 102775975
N-[(3-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopropanamine
CID 176601289

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine;molecular hydrogen?
The IUPAC name of N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine;molecular hydrogen (CID 170747493) is N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine;molecular hydrogen.
What is the SMILES notation for N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine;molecular hydrogen?
The canonical SMILES for N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine;molecular hydrogen is CCN(C)CC1NCCC1C.[H][H].
What is the InChIKey of N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine;molecular hydrogen?
The InChIKey is RFYBXRQJYYKWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.H2/c1-4-11(3)7-9-8(2)5-6-10-9;/h8-10H,4-7H2,1-3H3;1H.
What are the key properties of N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine;molecular hydrogen?
N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine;molecular hydrogen has a molecular weight of 158.29 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine;molecular hydrogen is sourced from PubChem (CID 170747493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).