N,N-dipropyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine

C16H23N3 — CID 11219089

IUPACN,N-dipropyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine
SMILESCCCN(CCC)C1CC=c2cnn3c2=C1CC=C3
InChIInChI=1S/C16H23N3/c1-3-9-18(10-4-2)15-8-7-13-12-17-19-11-5-6-14(15)16(13)19/h5,7,11-12,15H,3-4,6,8-10H2,1-2H3
InChIKeyJGXXQEFHYAHBJK-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.58
Rot. Bonds5

About N,N-dipropyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine

N,N-dipropyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine (PubChem CID 11219089) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N,N-dipropyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine.

Molecular Properties

Compound NameN,N-dipropyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine
PubChem CID11219089
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN,N-dipropyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine
SMILESCCCN(CCC)C1CC=c2cnn3c2=C1CC=C3
InChIInChI=1S/C16H23N3/c1-3-9-18(10-4-2)15-8-7-13-12-17-19-11-5-6-14(15)16(13)19/h5,7,11-12,15H,3-4,6,8-10H2,1-2H3
InChIKeyJGXXQEFHYAHBJK-UHFFFAOYSA-N
XLogP1.58
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine?
The IUPAC name of N,N-dipropyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine (CID 11219089) is N,N-dipropyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine.
What is the SMILES notation for N,N-dipropyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine?
The canonical SMILES for N,N-dipropyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine is CCCN(CCC)C1CC=c2cnn3c2=C1CC=C3.
What is the InChIKey of N,N-dipropyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine?
The InChIKey is JGXXQEFHYAHBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-9-18(10-4-2)15-8-7-13-12-17-19-11-5-6-14(15)16(13)19/h5,7,11-12,15H,3-4,6,8-10H2,1-2H3.
What are the key properties of N,N-dipropyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine?
N,N-dipropyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine has a molecular weight of 257.38 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine is sourced from PubChem (CID 11219089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).