(3R,4S)-4-cyclopropyl-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-amine;dihydrochloride

C11H22Cl2N6 — CID 154898040

IUPAC(3R,4S)-4-cyclopropyl-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-amine;dihydrochloride
SMILESCl.Cl.N[C@H]1CN(CCCn2cnnn2)C[C@@H]1C1CC1
InChIInChI=1S/C11H20N6.2ClH/c12-11-7-16(6-10(11)9-2-3-9)4-1-5-17-8-13-14-15-17;;/h8-11H,1-7,12H2;2*1H/t10-,11+;;/m1../s1
InChIKeyFXRNLNOXTYKBTK-OXPNAJOUSA-N
MW309.25 g/mol
LogP0.58
Rot. Bonds5

About (3R,4S)-4-cyclopropyl-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-amine;dihydrochloride

(3R,4S)-4-cyclopropyl-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-amine;dihydrochloride (PubChem CID 154898040) has the molecular formula C11H22Cl2N6 and a molecular weight of 309.25 g/mol. Its IUPAC name is (3R,4S)-4-cyclopropyl-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name(3R,4S)-4-cyclopropyl-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-amine;dihydrochloride
PubChem CID154898040
Molecular FormulaC11H22Cl2N6
Molecular Weight309.25 g/mol
Exact Mass308.13
IUPAC Name(3R,4S)-4-cyclopropyl-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-amine;dihydrochloride
SMILESCl.Cl.N[C@H]1CN(CCCn2cnnn2)C[C@@H]1C1CC1
InChIInChI=1S/C11H20N6.2ClH/c12-11-7-16(6-10(11)9-2-3-9)4-1-5-17-8-13-14-15-17;;/h8-11H,1-7,12H2;2*1H/t10-,11+;;/m1../s1
InChIKeyFXRNLNOXTYKBTK-OXPNAJOUSA-N
XLogP0.58
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-cyclopropyl-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-amine;dihydrochloride?
The IUPAC name of (3R,4S)-4-cyclopropyl-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-amine;dihydrochloride (CID 154898040) is (3R,4S)-4-cyclopropyl-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for (3R,4S)-4-cyclopropyl-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for (3R,4S)-4-cyclopropyl-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-amine;dihydrochloride is Cl.Cl.N[C@H]1CN(CCCn2cnnn2)C[C@@H]1C1CC1.
What is the InChIKey of (3R,4S)-4-cyclopropyl-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-amine;dihydrochloride?
The InChIKey is FXRNLNOXTYKBTK-OXPNAJOUSA-N. The full InChI is InChI=1S/C11H20N6.2ClH/c12-11-7-16(6-10(11)9-2-3-9)4-1-5-17-8-13-14-15-17;;/h8-11H,1-7,12H2;2*1H/t10-,11+;;/m1../s1.
What are the key properties of (3R,4S)-4-cyclopropyl-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-amine;dihydrochloride?
(3R,4S)-4-cyclopropyl-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-amine;dihydrochloride has a molecular weight of 309.25 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-cyclopropyl-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 154898040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).