(3R)-N,N-dimethyl-1-[2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride

C17H29Cl2N3 — CID 90665012

IUPAC(3R)-N,N-dimethyl-1-[2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride
SMILESCN(C)[C@@H]1CCN(CCN[C@H]2C[C@@H]2c2ccccc2)C1.Cl.Cl
InChIInChI=1S/C17H27N3.2ClH/c1-19(2)15-8-10-20(13-15)11-9-18-17-12-16(17)14-6-4-3-5-7-14;;/h3-7,15-18H,8-13H2,1-2H3;2*1H/t15-,16-,17+;;/m1../s1
InChIKeyYFNZKUOJMZRQHQ-HREQYLLUSA-N
MW346.35 g/mol
LogP2.61
Rot. Bonds6

About (3R)-N,N-dimethyl-1-[2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride

(3R)-N,N-dimethyl-1-[2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride (PubChem CID 90665012) has the molecular formula C17H29Cl2N3 and a molecular weight of 346.35 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-1-[2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-1-[2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride
PubChem CID90665012
Molecular FormulaC17H29Cl2N3
Molecular Weight346.35 g/mol
Exact Mass345.17
IUPAC Name(3R)-N,N-dimethyl-1-[2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride
SMILESCN(C)[C@@H]1CCN(CCN[C@H]2C[C@@H]2c2ccccc2)C1.Cl.Cl
InChIInChI=1S/C17H27N3.2ClH/c1-19(2)15-8-10-20(13-15)11-9-18-17-12-16(17)14-6-4-3-5-7-14;;/h3-7,15-18H,8-13H2,1-2H3;2*1H/t15-,16-,17+;;/m1../s1
InChIKeyYFNZKUOJMZRQHQ-HREQYLLUSA-N
XLogP2.61
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-1-[2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride?
The IUPAC name of (3R)-N,N-dimethyl-1-[2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride (CID 90665012) is (3R)-N,N-dimethyl-1-[2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for (3R)-N,N-dimethyl-1-[2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for (3R)-N,N-dimethyl-1-[2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride is CN(C)[C@@H]1CCN(CCN[C@H]2C[C@@H]2c2ccccc2)C1.Cl.Cl.
What is the InChIKey of (3R)-N,N-dimethyl-1-[2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride?
The InChIKey is YFNZKUOJMZRQHQ-HREQYLLUSA-N. The full InChI is InChI=1S/C17H27N3.2ClH/c1-19(2)15-8-10-20(13-15)11-9-18-17-12-16(17)14-6-4-3-5-7-14;;/h3-7,15-18H,8-13H2,1-2H3;2*1H/t15-,16-,17+;;/m1../s1.
What are the key properties of (3R)-N,N-dimethyl-1-[2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride?
(3R)-N,N-dimethyl-1-[2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride has a molecular weight of 346.35 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-1-[2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 90665012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).