N-ethyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-amine

C14H22N4 — CID 141430986

IUPACN-ethyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-amine
SMILESCCNC1CCN(c2ncnc3c2CCCC3)C1
InChIInChI=1S/C14H22N4/c1-2-15-11-7-8-18(9-11)14-12-5-3-4-6-13(12)16-10-17-14/h10-11,15H,2-9H2,1H3
InChIKeyCOIWGWURATUMQC-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.54
Rot. Bonds3

About N-ethyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-amine

N-ethyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-amine (PubChem CID 141430986) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-ethyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-amine
PubChem CID141430986
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-ethyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-amine
SMILESCCNC1CCN(c2ncnc3c2CCCC3)C1
InChIInChI=1S/C14H22N4/c1-2-15-11-7-8-18(9-11)14-12-5-3-4-6-13(12)16-10-17-14/h10-11,15H,2-9H2,1H3
InChIKeyCOIWGWURATUMQC-UHFFFAOYSA-N
XLogP1.54
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-amine?
The IUPAC name of N-ethyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-amine (CID 141430986) is N-ethyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-amine?
The canonical SMILES for N-ethyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-amine is CCNC1CCN(c2ncnc3c2CCCC3)C1.
What is the InChIKey of N-ethyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-amine?
The InChIKey is COIWGWURATUMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-2-15-11-7-8-18(9-11)14-12-5-3-4-6-13(12)16-10-17-14/h10-11,15H,2-9H2,1H3.
What are the key properties of N-ethyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-amine?
N-ethyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-amine has a molecular weight of 246.36 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 141430986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).