(3R)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-3-amine

C11H20N2 — CID 142326124

IUPAC(3R)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-3-amine
SMILESN[C@@H]1CCN(CC2CC=CCC2)C1
InChIInChI=1S/C11H20N2/c12-11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-2,10-11H,3-9,12H2/t10?,11-/m1/s1
InChIKeyBEVUZSWIVZXGQQ-RRKGBCIJSA-N
MW180.29 g/mol
LogP1.38
Rot. Bonds2

About (3R)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-3-amine

(3R)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-3-amine (PubChem CID 142326124) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (3R)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-3-amine
PubChem CID142326124
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(3R)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-3-amine
SMILESN[C@@H]1CCN(CC2CC=CCC2)C1
InChIInChI=1S/C11H20N2/c12-11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-2,10-11H,3-9,12H2/t10?,11-/m1/s1
InChIKeyBEVUZSWIVZXGQQ-RRKGBCIJSA-N
XLogP1.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of (3R)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-3-amine (CID 142326124) is (3R)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-3-amine is N[C@@H]1CCN(CC2CC=CCC2)C1.
What is the InChIKey of (3R)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-3-amine?
The InChIKey is BEVUZSWIVZXGQQ-RRKGBCIJSA-N. The full InChI is InChI=1S/C11H20N2/c12-11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-2,10-11H,3-9,12H2/t10?,11-/m1/s1.
What are the key properties of (3R)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-3-amine?
(3R)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-3-amine has a molecular weight of 180.29 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 142326124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).