(3S)-N-methyl-N-propan-2-ylpyrrolidin-3-amine;dihydrochloride

C8H20Cl2N2 — CID 138393817

IUPAC(3S)-N-methyl-N-propan-2-ylpyrrolidin-3-amine;dihydrochloride
SMILESCC(C)N(C)[C@H]1CCNC1.Cl.Cl
InChIInChI=1S/C8H18N2.2ClH/c1-7(2)10(3)8-4-5-9-6-8;;/h7-9H,4-6H2,1-3H3;2*1H/t8-;;/m0../s1
InChIKeyYUSCHDMHPMFLEE-JZGIKJSDSA-N
MW215.17 g/mol
LogP1.53
Rot. Bonds2

About (3S)-N-methyl-N-propan-2-ylpyrrolidin-3-amine;dihydrochloride

(3S)-N-methyl-N-propan-2-ylpyrrolidin-3-amine;dihydrochloride (PubChem CID 138393817) has the molecular formula C8H20Cl2N2 and a molecular weight of 215.17 g/mol. Its IUPAC name is (3S)-N-methyl-N-propan-2-ylpyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name(3S)-N-methyl-N-propan-2-ylpyrrolidin-3-amine;dihydrochloride
PubChem CID138393817
Molecular FormulaC8H20Cl2N2
Molecular Weight215.17 g/mol
Exact Mass214.10
IUPAC Name(3S)-N-methyl-N-propan-2-ylpyrrolidin-3-amine;dihydrochloride
SMILESCC(C)N(C)[C@H]1CCNC1.Cl.Cl
InChIInChI=1S/C8H18N2.2ClH/c1-7(2)10(3)8-4-5-9-6-8;;/h7-9H,4-6H2,1-3H3;2*1H/t8-;;/m0../s1
InChIKeyYUSCHDMHPMFLEE-JZGIKJSDSA-N
XLogP1.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-methyl-N-propan-2-ylpiperidin-3-amine;dihydrochloride
CID 135207468
2-[methyl(pyrrolidin-3-yl)amino]propan-1-ol
CID 104556943
ethyl 2-[methyl(pyrrolidin-3-yl)amino]propanoate
CID 63301878
N-methyl-N-propan-2-ylcyclopropanamine
CID 21024125
(3R)-N-cyclopropyl-N-methylpyrrolidin-3-amine
CID 66569483
methyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]butanoate
CID 79414659
N-carbamoyl-2-[methyl(pyrrolidin-3-yl)amino]propanamide
CID 63301604
(3R)-N-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine;hydrochloride
CID 71637515
N-[1-(2,3-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 114079689
N-(methylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]propanamide
CID 63301559
N,N-di(propan-2-yl)piperidin-4-amine
CID 54556274
N-[1-(4-fluorophenyl)propan-2-yl]-N-methylpyrrolidin-3-amine
CID 114794765

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-N-propan-2-ylpyrrolidin-3-amine;dihydrochloride?
The IUPAC name of (3S)-N-methyl-N-propan-2-ylpyrrolidin-3-amine;dihydrochloride (CID 138393817) is (3S)-N-methyl-N-propan-2-ylpyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for (3S)-N-methyl-N-propan-2-ylpyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for (3S)-N-methyl-N-propan-2-ylpyrrolidin-3-amine;dihydrochloride is CC(C)N(C)[C@H]1CCNC1.Cl.Cl.
What is the InChIKey of (3S)-N-methyl-N-propan-2-ylpyrrolidin-3-amine;dihydrochloride?
The InChIKey is YUSCHDMHPMFLEE-JZGIKJSDSA-N. The full InChI is InChI=1S/C8H18N2.2ClH/c1-7(2)10(3)8-4-5-9-6-8;;/h7-9H,4-6H2,1-3H3;2*1H/t8-;;/m0../s1.
What are the key properties of (3S)-N-methyl-N-propan-2-ylpyrrolidin-3-amine;dihydrochloride?
(3S)-N-methyl-N-propan-2-ylpyrrolidin-3-amine;dihydrochloride has a molecular weight of 215.17 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-N-propan-2-ylpyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 138393817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).