[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride

C8H19ClN2 — CID 156593878

IUPAC[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride
SMILESCC(C)N1CCC[C@H]1CN.Cl
InChIInChI=1S/C8H18N2.ClH/c1-7(2)10-5-3-4-8(10)6-9;/h7-8H,3-6,9H2,1-2H3;1H/t8-;/m0./s1
InChIKeyUVXQBVIYKHLAKX-QRPNPIFTSA-N
MW178.71 g/mol
LogP1.24
Rot. Bonds2

About [(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride

[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 156593878) has the molecular formula C8H19ClN2 and a molecular weight of 178.71 g/mol. Its IUPAC name is [(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID156593878
Molecular FormulaC8H19ClN2
Molecular Weight178.71 g/mol
Exact Mass178.12
IUPAC Name[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride
SMILESCC(C)N1CCC[C@H]1CN.Cl
InChIInChI=1S/C8H18N2.ClH/c1-7(2)10-5-3-4-8(10)6-9;/h7-8H,3-6,9H2,1-2H3;1H/t8-;/m0./s1
InChIKeyUVXQBVIYKHLAKX-QRPNPIFTSA-N
XLogP1.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.71
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-propan-2-ylpyrrolidin-2-yl)methanamine
CID 2762717
2-(1-propan-2-ylpyrrolidin-2-yl)ethanamine
CID 75089169
[1-(1-cyclopropylpropyl)pyrrolidin-2-yl]methanamine
CID 115311763
2-(2-iodoethyl)-1-propan-2-ylpyrrolidine
CID 167152246
(2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine
CID 167138611
2-[2-(aminomethyl)pyrrolidin-1-yl]butanenitrile
CID 115312740
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl acetate
CID 164547816
1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-one
CID 164547301
[(2S)-1-[(1R)-1-(furan-2-yl)ethyl]pyrrolidin-2-yl]methanamine
CID 129427489
[1-[1-(oxolan-2-yl)ethyl]pyrrolidin-2-yl]methanamine
CID 130577654
(4-methyl-1-propan-2-ylpiperidin-2-yl)methanamine
CID 103440582
3-[2-(aminomethyl)pyrrolidin-1-yl]pentanenitrile
CID 115312813

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride (CID 156593878) is [(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride is CC(C)N1CCC[C@H]1CN.Cl.
What is the InChIKey of [(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is UVXQBVIYKHLAKX-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H18N2.ClH/c1-7(2)10-5-3-4-8(10)6-9;/h7-8H,3-6,9H2,1-2H3;1H/t8-;/m0./s1.
What are the key properties of [(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride?
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 178.71 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 156593878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).