2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]ethanamine

C8H19N3 — CID 130892102

IUPAC2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]ethanamine
SMILESCC1CC(CN)CN1CCN
InChIInChI=1S/C8H19N3/c1-7-4-8(5-10)6-11(7)3-2-9/h7-8H,2-6,9-10H2,1H3
InChIKeyKCFSGFKFVWNLHB-UHFFFAOYSA-N
MW157.26 g/mol
LogP-0.39
Rot. Bonds3

About 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]ethanamine

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]ethanamine (PubChem CID 130892102) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]ethanamine
PubChem CID130892102
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]ethanamine
SMILESCC1CC(CN)CN1CCN
InChIInChI=1S/C8H19N3/c1-7-4-8(5-10)6-11(7)3-2-9/h7-8H,2-6,9-10H2,1H3
InChIKeyKCFSGFKFVWNLHB-UHFFFAOYSA-N
XLogP-0.39
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-1-propylpyrrolidin-3-yl)methanamine
CID 115486103
[1-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-yl]methanamine
CID 115486246
(5-methyl-1-pent-4-enylpyrrolidin-3-yl)methanamine
CID 115486286
[5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 115486200
[1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
CID 120966626
[1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120966625
[5-methyl-1-(3-phenylpropyl)pyrrolidin-3-yl]methanamine
CID 113319943
2-[1-(2-aminoethyl)-2-methylpiperidin-4-yl]ethanamine
CID 68737456
[1-[2-(4-ethoxyphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486226
[1-[2-(4-tert-butylphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486086
[1-[(4-tert-butylcyclohexyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 112703650
2-[(2R,5R)-2,5-dimethylpiperidin-1-yl]ethanamine
CID 97002391

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]ethanamine (CID 130892102) is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]ethanamine is CC1CC(CN)CN1CCN.
What is the InChIKey of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]ethanamine?
The InChIKey is KCFSGFKFVWNLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-7-4-8(5-10)6-11(7)3-2-9/h7-8H,2-6,9-10H2,1H3.
What are the key properties of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]ethanamine?
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]ethanamine has a molecular weight of 157.26 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 130892102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).