1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-2-ol

C9H20N2O — CID 82503310

IUPAC1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCCC1CN
InChIInChI=1S/C9H20N2O/c1-9(2,12)7-11-5-3-4-8(11)6-10/h8,12H,3-7,10H2,1-2H3
InChIKeyKKVPGMXJNGGHLX-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.18
Rot. Bonds3

About 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-2-ol

1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-2-ol (PubChem CID 82503310) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-2-ol
PubChem CID82503310
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCCC1CN
InChIInChI=1S/C9H20N2O/c1-9(2,12)7-11-5-3-4-8(11)6-10/h8,12H,3-7,10H2,1-2H3
InChIKeyKKVPGMXJNGGHLX-UHFFFAOYSA-N
XLogP0.18
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-2-ol (CID 82503310) is 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-2-ol is CC(C)(O)CN1CCCC1CN.
What is the InChIKey of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-2-ol?
The InChIKey is KKVPGMXJNGGHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(2,12)7-11-5-3-4-8(11)6-10/h8,12H,3-7,10H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-2-ol?
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 82503310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).