(3R)-N-methyl-N-propan-2-ylpiperidin-3-amine;dihydrochloride

C9H22Cl2N2 — CID 135207468

IUPAC(3R)-N-methyl-N-propan-2-ylpiperidin-3-amine;dihydrochloride
SMILESCC(C)N(C)[C@@H]1CCCNC1.Cl.Cl
InChIInChI=1S/C9H20N2.2ClH/c1-8(2)11(3)9-5-4-6-10-7-9;;/h8-10H,4-7H2,1-3H3;2*1H/t9-;;/m1../s1
InChIKeyOTIOIZYXYPARFR-KLQYNRQASA-N
MW229.19 g/mol
LogP1.92
Rot. Bonds2

About (3R)-N-methyl-N-propan-2-ylpiperidin-3-amine;dihydrochloride

(3R)-N-methyl-N-propan-2-ylpiperidin-3-amine;dihydrochloride (PubChem CID 135207468) has the molecular formula C9H22Cl2N2 and a molecular weight of 229.19 g/mol. Its IUPAC name is (3R)-N-methyl-N-propan-2-ylpiperidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name(3R)-N-methyl-N-propan-2-ylpiperidin-3-amine;dihydrochloride
PubChem CID135207468
Molecular FormulaC9H22Cl2N2
Molecular Weight229.19 g/mol
Exact Mass228.12
IUPAC Name(3R)-N-methyl-N-propan-2-ylpiperidin-3-amine;dihydrochloride
SMILESCC(C)N(C)[C@@H]1CCCNC1.Cl.Cl
InChIInChI=1S/C9H20N2.2ClH/c1-8(2)11(3)9-5-4-6-10-7-9;;/h8-10H,4-7H2,1-3H3;2*1H/t9-;;/m1../s1
InChIKeyOTIOIZYXYPARFR-KLQYNRQASA-N
XLogP1.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-methyl-N-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 138393817
N-methyl-N-[(3R)-piperidin-3-yl]methanesulfonamide;hydrochloride
CID 127263584
N-methyl-N-(2-methylpropyl)piperidin-3-amine
CID 43317078
N-cyclopropyl-N-propan-2-ylpiperidin-3-amine
CID 83828573
N-cyclopropyl-N-methylpiperidin-3-amine;hydrochloride
CID 118797312
N-methyl-N-piperidin-3-ylmethanesulfonamide
CID 54595457
N-heptan-4-yl-N-methylpiperidin-3-amine
CID 63644400
N-cyclohexyl-N-methylpiperidin-3-amine;dihydrochloride
CID 56831585
(3R)-N-methyl-N-[1-(1H-pyrrol-2-yl)ethyl]piperidin-3-amine;hydrochloride
CID 71637497
N-methyl-2-[methyl(piperidin-3-yl)amino]propanamide
CID 63643925
(3S)-N,N-dimethylazepan-3-amine;dihydrochloride
CID 170898378
N-[1-(4-bromophenyl)ethyl]-N-methylpiperidin-3-amine
CID 63641916

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-N-propan-2-ylpiperidin-3-amine;dihydrochloride?
The IUPAC name of (3R)-N-methyl-N-propan-2-ylpiperidin-3-amine;dihydrochloride (CID 135207468) is (3R)-N-methyl-N-propan-2-ylpiperidin-3-amine;dihydrochloride.
What is the SMILES notation for (3R)-N-methyl-N-propan-2-ylpiperidin-3-amine;dihydrochloride?
The canonical SMILES for (3R)-N-methyl-N-propan-2-ylpiperidin-3-amine;dihydrochloride is CC(C)N(C)[C@@H]1CCCNC1.Cl.Cl.
What is the InChIKey of (3R)-N-methyl-N-propan-2-ylpiperidin-3-amine;dihydrochloride?
The InChIKey is OTIOIZYXYPARFR-KLQYNRQASA-N. The full InChI is InChI=1S/C9H20N2.2ClH/c1-8(2)11(3)9-5-4-6-10-7-9;;/h8-10H,4-7H2,1-3H3;2*1H/t9-;;/m1../s1.
What are the key properties of (3R)-N-methyl-N-propan-2-ylpiperidin-3-amine;dihydrochloride?
(3R)-N-methyl-N-propan-2-ylpiperidin-3-amine;dihydrochloride has a molecular weight of 229.19 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-N-propan-2-ylpiperidin-3-amine;dihydrochloride is sourced from PubChem (CID 135207468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).