(3S)-1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-amine

C11H18N4 — CID 115302453

IUPAC(3S)-1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-amine
SMILESN[C@H]1CCN(Cc2cncn2C2CC2)C1
InChIInChI=1S/C11H18N4/c12-9-3-4-14(6-9)7-11-5-13-8-15(11)10-1-2-10/h5,8-10H,1-4,6-7,12H2/t9-/m0/s1
InChIKeyDJPSVJKLFVCRAM-VIFPVBQESA-N
MW206.29 g/mol
LogP0.75
Rot. Bonds3

About (3S)-1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-amine

(3S)-1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-amine (PubChem CID 115302453) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is (3S)-1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-amine
PubChem CID115302453
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name(3S)-1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-amine
SMILESN[C@H]1CCN(Cc2cncn2C2CC2)C1
InChIInChI=1S/C11H18N4/c12-9-3-4-14(6-9)7-11-5-13-8-15(11)10-1-2-10/h5,8-10H,1-4,6-7,12H2/t9-/m0/s1
InChIKeyDJPSVJKLFVCRAM-VIFPVBQESA-N
XLogP0.75
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-amine (CID 115302453) is (3S)-1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-amine is N[C@H]1CCN(Cc2cncn2C2CC2)C1.
What is the InChIKey of (3S)-1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-amine?
The InChIKey is DJPSVJKLFVCRAM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N4/c12-9-3-4-14(6-9)7-11-5-13-8-15(11)10-1-2-10/h5,8-10H,1-4,6-7,12H2/t9-/m0/s1.
What are the key properties of (3S)-1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-amine?
(3S)-1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-amine has a molecular weight of 206.29 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 115302453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).