(5aR,9aR)-N,N,6-triethyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine

C17H28N4 — CID 57094492

IUPAC(5aR,9aR)-N,N,6-triethyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine
SMILESCCN(CC)c1ncc2c(n1)C[C@H]1CCCN(CC)[C@@H]1C2
InChIInChI=1S/C17H28N4/c1-4-20(5-2)17-18-12-14-11-16-13(10-15(14)19-17)8-7-9-21(16)6-3/h12-13,16H,4-11H2,1-3H3/t13-,16-/m1/s1
InChIKeyWXDCMPUWCMMAHO-CZUORRHYSA-N
MW288.44 g/mol
LogP2.52
Rot. Bonds4

About (5aR,9aR)-N,N,6-triethyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine

(5aR,9aR)-N,N,6-triethyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine (PubChem CID 57094492) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is (5aR,9aR)-N,N,6-triethyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine.

Molecular Properties

Compound Name(5aR,9aR)-N,N,6-triethyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine
PubChem CID57094492
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name(5aR,9aR)-N,N,6-triethyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine
SMILESCCN(CC)c1ncc2c(n1)C[C@H]1CCCN(CC)[C@@H]1C2
InChIInChI=1S/C17H28N4/c1-4-20(5-2)17-18-12-14-11-16-13(10-15(14)19-17)8-7-9-21(16)6-3/h12-13,16H,4-11H2,1-3H3/t13-,16-/m1/s1
InChIKeyWXDCMPUWCMMAHO-CZUORRHYSA-N
XLogP2.52
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5aR,9aR)-N,N,6-triethyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine?
The IUPAC name of (5aR,9aR)-N,N,6-triethyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine (CID 57094492) is (5aR,9aR)-N,N,6-triethyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine.
What is the SMILES notation for (5aR,9aR)-N,N,6-triethyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine?
The canonical SMILES for (5aR,9aR)-N,N,6-triethyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine is CCN(CC)c1ncc2c(n1)C[C@H]1CCCN(CC)[C@@H]1C2.
What is the InChIKey of (5aR,9aR)-N,N,6-triethyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine?
The InChIKey is WXDCMPUWCMMAHO-CZUORRHYSA-N. The full InChI is InChI=1S/C17H28N4/c1-4-20(5-2)17-18-12-14-11-16-13(10-15(14)19-17)8-7-9-21(16)6-3/h12-13,16H,4-11H2,1-3H3/t13-,16-/m1/s1.
What are the key properties of (5aR,9aR)-N,N,6-triethyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine?
(5aR,9aR)-N,N,6-triethyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine has a molecular weight of 288.44 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5aR,9aR)-N,N,6-triethyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine is sourced from PubChem (CID 57094492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).