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

C15H25Cl2N3 — CID 162322096

IUPAC(3R)-1-[2-[[(1S)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCN(CCN[C@H]2CC2c2ccccc2)C1
InChIInChI=1S/C15H23N3.2ClH/c16-13-6-8-18(11-13)9-7-17-15-10-14(15)12-4-2-1-3-5-12;;/h1-5,13-15,17H,6-11,16H2;2*1H/t13-,14?,15+;;/m1../s1
InChIKeyJUVHCVPXMPUPRN-ZXDZADKHSA-N
MW318.29 g/mol
LogP2.01
Rot. Bonds5

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

(3R)-1-[2-[[(1S)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride (PubChem CID 162322096) has the molecular formula C15H25Cl2N3 and a molecular weight of 318.29 g/mol. Its IUPAC name is (3R)-1-[2-[[(1S)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name(3R)-1-[2-[[(1S)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride
PubChem CID162322096
Molecular FormulaC15H25Cl2N3
Molecular Weight318.29 g/mol
Exact Mass317.14
IUPAC Name(3R)-1-[2-[[(1S)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCN(CCN[C@H]2CC2c2ccccc2)C1
InChIInChI=1S/C15H23N3.2ClH/c16-13-6-8-18(11-13)9-7-17-15-10-14(15)12-4-2-1-3-5-12;;/h1-5,13-15,17H,6-11,16H2;2*1H/t13-,14?,15+;;/m1../s1
InChIKeyJUVHCVPXMPUPRN-ZXDZADKHSA-N
XLogP2.01
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[[(1S)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride?
The IUPAC name of (3R)-1-[2-[[(1S)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride (CID 162322096) is (3R)-1-[2-[[(1S)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for (3R)-1-[2-[[(1S)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for (3R)-1-[2-[[(1S)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride is Cl.Cl.N[C@@H]1CCN(CCN[C@H]2CC2c2ccccc2)C1.
What is the InChIKey of (3R)-1-[2-[[(1S)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride?
The InChIKey is JUVHCVPXMPUPRN-ZXDZADKHSA-N. The full InChI is InChI=1S/C15H23N3.2ClH/c16-13-6-8-18(11-13)9-7-17-15-10-14(15)12-4-2-1-3-5-12;;/h1-5,13-15,17H,6-11,16H2;2*1H/t13-,14?,15+;;/m1../s1.
What are the key properties of (3R)-1-[2-[[(1S)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride?
(3R)-1-[2-[[(1S)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride has a molecular weight of 318.29 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[[(1S)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 162322096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).