[[2-[(3-ethylpyrrolidin-1-yl)methyl]cyclopropyl]amino]-(methylamino)methanol

C12H25N3O — CID 20714179

IUPAC[[2-[(3-ethylpyrrolidin-1-yl)methyl]cyclopropyl]amino]-(methylamino)methanol
SMILESCCC1CCN(CC2CC2NC(O)NC)C1
InChIInChI=1S/C12H25N3O/c1-3-9-4-5-15(7-9)8-10-6-11(10)14-12(16)13-2/h9-14,16H,3-8H2,1-2H3
InChIKeyGWBAQRIZPWAZIJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.19
Rot. Bonds6

About [[2-[(3-ethylpyrrolidin-1-yl)methyl]cyclopropyl]amino]-(methylamino)methanol

[[2-[(3-ethylpyrrolidin-1-yl)methyl]cyclopropyl]amino]-(methylamino)methanol (PubChem CID 20714179) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is [[2-[(3-ethylpyrrolidin-1-yl)methyl]cyclopropyl]amino]-(methylamino)methanol.

Molecular Properties

Compound Name[[2-[(3-ethylpyrrolidin-1-yl)methyl]cyclopropyl]amino]-(methylamino)methanol
PubChem CID20714179
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name[[2-[(3-ethylpyrrolidin-1-yl)methyl]cyclopropyl]amino]-(methylamino)methanol
SMILESCCC1CCN(CC2CC2NC(O)NC)C1
InChIInChI=1S/C12H25N3O/c1-3-9-4-5-15(7-9)8-10-6-11(10)14-12(16)13-2/h9-14,16H,3-8H2,1-2H3
InChIKeyGWBAQRIZPWAZIJ-UHFFFAOYSA-N
XLogP0.19
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[2-[(3-ethylpyrrolidin-1-yl)methyl]cyclopropyl]amino]-(methylamino)methanol?
The IUPAC name of [[2-[(3-ethylpyrrolidin-1-yl)methyl]cyclopropyl]amino]-(methylamino)methanol (CID 20714179) is [[2-[(3-ethylpyrrolidin-1-yl)methyl]cyclopropyl]amino]-(methylamino)methanol.
What is the SMILES notation for [[2-[(3-ethylpyrrolidin-1-yl)methyl]cyclopropyl]amino]-(methylamino)methanol?
The canonical SMILES for [[2-[(3-ethylpyrrolidin-1-yl)methyl]cyclopropyl]amino]-(methylamino)methanol is CCC1CCN(CC2CC2NC(O)NC)C1.
What is the InChIKey of [[2-[(3-ethylpyrrolidin-1-yl)methyl]cyclopropyl]amino]-(methylamino)methanol?
The InChIKey is GWBAQRIZPWAZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-9-4-5-15(7-9)8-10-6-11(10)14-12(16)13-2/h9-14,16H,3-8H2,1-2H3.
What are the key properties of [[2-[(3-ethylpyrrolidin-1-yl)methyl]cyclopropyl]amino]-(methylamino)methanol?
[[2-[(3-ethylpyrrolidin-1-yl)methyl]cyclopropyl]amino]-(methylamino)methanol has a molecular weight of 227.35 g/mol, XLogP of 0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[(3-ethylpyrrolidin-1-yl)methyl]cyclopropyl]amino]-(methylamino)methanol is sourced from PubChem (CID 20714179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).