(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanamine

C10H22N2 — CID 18525415

IUPAC(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanamine
SMILESCN1C(C)(C)CC(CN)C1(C)C
InChIInChI=1S/C10H22N2/c1-9(2)6-8(7-11)10(3,4)12(9)5/h8H,6-7,11H2,1-5H3
InChIKeyHKSRAKIZEQECFH-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.45
Rot. Bonds1

About (1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanamine

(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanamine (PubChem CID 18525415) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is (1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound Name(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanamine
PubChem CID18525415
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanamine
SMILESCN1C(C)(C)CC(CN)C1(C)C
InChIInChI=1S/C10H22N2/c1-9(2)6-8(7-11)10(3,4)12(9)5/h8H,6-7,11H2,1-5H3
InChIKeyHKSRAKIZEQECFH-UHFFFAOYSA-N
XLogP1.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanamine?
The IUPAC name of (1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanamine (CID 18525415) is (1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for (1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanamine?
The canonical SMILES for (1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanamine is CN1C(C)(C)CC(CN)C1(C)C.
What is the InChIKey of (1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanamine?
The InChIKey is HKSRAKIZEQECFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-9(2)6-8(7-11)10(3,4)12(9)5/h8H,6-7,11H2,1-5H3.
What are the key properties of (1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanamine?
(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanamine has a molecular weight of 170.30 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 18525415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).