1-(2,2-dimethylpropyl)pyrrolidin-3-amine;dihydrochloride

C9H22Cl2N2 — CID 75994015

IUPAC1-(2,2-dimethylpropyl)pyrrolidin-3-amine;dihydrochloride
SMILESCC(C)(C)CN1CCC(N)C1.Cl.Cl
InChIInChI=1S/C9H20N2.2ClH/c1-9(2,3)7-11-5-4-8(10)6-11;;/h8H,4-7,10H2,1-3H3;2*1H
InChIKeyMSDNGHRQXWSGCF-UHFFFAOYSA-N
MW229.19 g/mol
LogP1.91
Rot. Bonds1

About 1-(2,2-dimethylpropyl)pyrrolidin-3-amine;dihydrochloride

1-(2,2-dimethylpropyl)pyrrolidin-3-amine;dihydrochloride (PubChem CID 75994015) has the molecular formula C9H22Cl2N2 and a molecular weight of 229.19 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)pyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)pyrrolidin-3-amine;dihydrochloride
PubChem CID75994015
Molecular FormulaC9H22Cl2N2
Molecular Weight229.19 g/mol
Exact Mass228.12
IUPAC Name1-(2,2-dimethylpropyl)pyrrolidin-3-amine;dihydrochloride
SMILESCC(C)(C)CN1CCC(N)C1.Cl.Cl
InChIInChI=1S/C9H20N2.2ClH/c1-9(2,3)7-11-5-4-8(10)6-11;;/h8H,4-7,10H2,1-3H3;2*1H
InChIKeyMSDNGHRQXWSGCF-UHFFFAOYSA-N
XLogP1.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)pyrrolidin-3-amine;dihydrochloride?
The IUPAC name of 1-(2,2-dimethylpropyl)pyrrolidin-3-amine;dihydrochloride (CID 75994015) is 1-(2,2-dimethylpropyl)pyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for 1-(2,2-dimethylpropyl)pyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for 1-(2,2-dimethylpropyl)pyrrolidin-3-amine;dihydrochloride is CC(C)(C)CN1CCC(N)C1.Cl.Cl.
What is the InChIKey of 1-(2,2-dimethylpropyl)pyrrolidin-3-amine;dihydrochloride?
The InChIKey is MSDNGHRQXWSGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.2ClH/c1-9(2,3)7-11-5-4-8(10)6-11;;/h8H,4-7,10H2,1-3H3;2*1H.
What are the key properties of 1-(2,2-dimethylpropyl)pyrrolidin-3-amine;dihydrochloride?
1-(2,2-dimethylpropyl)pyrrolidin-3-amine;dihydrochloride has a molecular weight of 229.19 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)pyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 75994015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).