N'-propan-2-yl-N'-quinazolin-2-ylpropane-1,3-diamine

C14H20N4 — CID 114788668

IUPACN'-propan-2-yl-N'-quinazolin-2-ylpropane-1,3-diamine
SMILESCC(C)N(CCCN)c1ncc2ccccc2n1
InChIInChI=1S/C14H20N4/c1-11(2)18(9-5-8-15)14-16-10-12-6-3-4-7-13(12)17-14/h3-4,6-7,10-11H,5,8-9,15H2,1-2H3
InChIKeyQKMNCRQWJZBIKN-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.19
Rot. Bonds5

About N'-propan-2-yl-N'-quinazolin-2-ylpropane-1,3-diamine

N'-propan-2-yl-N'-quinazolin-2-ylpropane-1,3-diamine (PubChem CID 114788668) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N'-propan-2-yl-N'-quinazolin-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-propan-2-yl-N'-quinazolin-2-ylpropane-1,3-diamine
PubChem CID114788668
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN'-propan-2-yl-N'-quinazolin-2-ylpropane-1,3-diamine
SMILESCC(C)N(CCCN)c1ncc2ccccc2n1
InChIInChI=1S/C14H20N4/c1-11(2)18(9-5-8-15)14-16-10-12-6-3-4-7-13(12)17-14/h3-4,6-7,10-11H,5,8-9,15H2,1-2H3
InChIKeyQKMNCRQWJZBIKN-UHFFFAOYSA-N
XLogP2.19
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-N'-quinazolin-2-ylpropane-1,3-diamine?
The IUPAC name of N'-propan-2-yl-N'-quinazolin-2-ylpropane-1,3-diamine (CID 114788668) is N'-propan-2-yl-N'-quinazolin-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-propan-2-yl-N'-quinazolin-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-propan-2-yl-N'-quinazolin-2-ylpropane-1,3-diamine is CC(C)N(CCCN)c1ncc2ccccc2n1.
What is the InChIKey of N'-propan-2-yl-N'-quinazolin-2-ylpropane-1,3-diamine?
The InChIKey is QKMNCRQWJZBIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11(2)18(9-5-8-15)14-16-10-12-6-3-4-7-13(12)17-14/h3-4,6-7,10-11H,5,8-9,15H2,1-2H3.
What are the key properties of N'-propan-2-yl-N'-quinazolin-2-ylpropane-1,3-diamine?
N'-propan-2-yl-N'-quinazolin-2-ylpropane-1,3-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N'-quinazolin-2-ylpropane-1,3-diamine is sourced from PubChem (CID 114788668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).