N'-ethyl-N'-quinazolin-2-ylpropane-1,3-diamine

C13H18N4 — CID 114788666

IUPACN'-ethyl-N'-quinazolin-2-ylpropane-1,3-diamine
SMILESCCN(CCCN)c1ncc2ccccc2n1
InChIInChI=1S/C13H18N4/c1-2-17(9-5-8-14)13-15-10-11-6-3-4-7-12(11)16-13/h3-4,6-7,10H,2,5,8-9,14H2,1H3
InChIKeyFRVZGXMFIFFEDM-UHFFFAOYSA-N
MW230.32 g/mol
LogP1.80
Rot. Bonds5

About N'-ethyl-N'-quinazolin-2-ylpropane-1,3-diamine

N'-ethyl-N'-quinazolin-2-ylpropane-1,3-diamine (PubChem CID 114788666) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is N'-ethyl-N'-quinazolin-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-quinazolin-2-ylpropane-1,3-diamine
PubChem CID114788666
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC NameN'-ethyl-N'-quinazolin-2-ylpropane-1,3-diamine
SMILESCCN(CCCN)c1ncc2ccccc2n1
InChIInChI=1S/C13H18N4/c1-2-17(9-5-8-14)13-15-10-11-6-3-4-7-12(11)16-13/h3-4,6-7,10H,2,5,8-9,14H2,1H3
InChIKeyFRVZGXMFIFFEDM-UHFFFAOYSA-N
XLogP1.80
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-propyl-N'-quinazolin-2-ylpropane-1,3-diamine
CID 114788667
N'-propan-2-yl-N'-quinazolin-2-ylpropane-1,3-diamine
CID 114788668
N'-ethyl-2,2-dimethyl-N'-quinazolin-2-ylpropane-1,3-diamine
CID 114789510
N'-ethyl-N'-quinoxalin-2-ylpropane-1,3-diamine
CID 62358578
N'-(1,3-benzoxazol-2-yl)-N'-ethylpropane-1,3-diamine
CID 61034495
N'-cyclohexyl-N'-quinazolin-2-ylpropane-1,3-diamine
CID 114788671
3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanenitrile
CID 114788703
3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanimidamide
CID 114788799
N-ethyl-N-(piperidin-2-ylmethyl)quinazolin-2-amine
CID 106641730
N-(2-chloroethyl)-N-methylquinazolin-2-amine
CID 114789805
N,N-diethyl-4-quinazolin-2-ylaniline
CID 22356712
N-(piperidin-4-ylmethyl)-N-propylquinazolin-2-amine
CID 114789514

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-quinazolin-2-ylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-quinazolin-2-ylpropane-1,3-diamine (CID 114788666) is N'-ethyl-N'-quinazolin-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-quinazolin-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-quinazolin-2-ylpropane-1,3-diamine is CCN(CCCN)c1ncc2ccccc2n1.
What is the InChIKey of N'-ethyl-N'-quinazolin-2-ylpropane-1,3-diamine?
The InChIKey is FRVZGXMFIFFEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-2-17(9-5-8-14)13-15-10-11-6-3-4-7-12(11)16-13/h3-4,6-7,10H,2,5,8-9,14H2,1H3.
What are the key properties of N'-ethyl-N'-quinazolin-2-ylpropane-1,3-diamine?
N'-ethyl-N'-quinazolin-2-ylpropane-1,3-diamine has a molecular weight of 230.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-quinazolin-2-ylpropane-1,3-diamine is sourced from PubChem (CID 114788666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).