N-(1-methoxypropan-2-yl)-1-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine

C14H26N4O — CID 106567567

IUPACN-(1-methoxypropan-2-yl)-1-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine
SMILESCOCC(C)Nc1nccn1C(C)CN1CCCC1
InChIInChI=1S/C14H26N4O/c1-12(11-19-3)16-14-15-6-9-18(14)13(2)10-17-7-4-5-8-17/h6,9,12-13H,4-5,7-8,10-11H2,1-3H3,(H,15,16)
InChIKeyDTNSTLSJQMYQDQ-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.99
Rot. Bonds7

About N-(1-methoxypropan-2-yl)-1-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine

N-(1-methoxypropan-2-yl)-1-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine (PubChem CID 106567567) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine
PubChem CID106567567
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-(1-methoxypropan-2-yl)-1-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine
SMILESCOCC(C)Nc1nccn1C(C)CN1CCCC1
InChIInChI=1S/C14H26N4O/c1-12(11-19-3)16-14-15-6-9-18(14)13(2)10-17-7-4-5-8-17/h6,9,12-13H,4-5,7-8,10-11H2,1-3H3,(H,15,16)
InChIKeyDTNSTLSJQMYQDQ-UHFFFAOYSA-N
XLogP1.99
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-1-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine (CID 106567567) is N-(1-methoxypropan-2-yl)-1-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine is COCC(C)Nc1nccn1C(C)CN1CCCC1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine?
The InChIKey is DTNSTLSJQMYQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-12(11-19-3)16-14-15-6-9-18(14)13(2)10-17-7-4-5-8-17/h6,9,12-13H,4-5,7-8,10-11H2,1-3H3,(H,15,16).
What are the key properties of N-(1-methoxypropan-2-yl)-1-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine?
N-(1-methoxypropan-2-yl)-1-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine has a molecular weight of 266.39 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106567567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).