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

C11H20N6 — CID 133110608

IUPAC(3S,4R)-4-cyclopropyl-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-amine
SMILESN[C@@H]1CN(CCCn2cnnn2)C[C@H]1C1CC1
InChIInChI=1S/C11H20N6/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/t10-,11+/m0/s1
InChIKeyPZWRBCHXIDWSKU-WDEREUQCSA-N
MW236.32 g/mol
LogP-0.27
Rot. Bonds5

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

(3S,4R)-4-cyclopropyl-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-amine (PubChem CID 133110608) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is (3S,4R)-4-cyclopropyl-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-cyclopropyl-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-amine
PubChem CID133110608
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name(3S,4R)-4-cyclopropyl-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-amine
SMILESN[C@@H]1CN(CCCn2cnnn2)C[C@H]1C1CC1
InChIInChI=1S/C11H20N6/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/t10-,11+/m0/s1
InChIKeyPZWRBCHXIDWSKU-WDEREUQCSA-N
XLogP-0.27
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-cyclopropyl-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-cyclopropyl-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-amine (CID 133110608) is (3S,4R)-4-cyclopropyl-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-cyclopropyl-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-cyclopropyl-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-amine is N[C@@H]1CN(CCCn2cnnn2)C[C@H]1C1CC1.
What is the InChIKey of (3S,4R)-4-cyclopropyl-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-amine?
The InChIKey is PZWRBCHXIDWSKU-WDEREUQCSA-N. The full InChI is InChI=1S/C11H20N6/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/t10-,11+/m0/s1.
What are the key properties of (3S,4R)-4-cyclopropyl-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-amine?
(3S,4R)-4-cyclopropyl-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-amine has a molecular weight of 236.32 g/mol, XLogP of -0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-cyclopropyl-1-[3-(tetrazol-1-yl)propyl]pyrrolidin-3-amine is sourced from PubChem (CID 133110608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).