1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine

C14H22N4 — CID 170188123

IUPAC1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine
SMILESCC(C)Nc1nc(C(C)C)cc2c1=CC(N)NC=2
InChIInChI=1S/C14H22N4/c1-8(2)12-5-10-7-16-13(15)6-11(10)14(18-12)17-9(3)4/h5-9,13,16H,15H2,1-4H3,(H,17,18)
InChIKeyYPSOWOMZGTUQBZ-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.43
Rot. Bonds3

About 1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine

1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine (PubChem CID 170188123) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine.

Molecular Properties

Compound Name1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine
PubChem CID170188123
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine
SMILESCC(C)Nc1nc(C(C)C)cc2c1=CC(N)NC=2
InChIInChI=1S/C14H22N4/c1-8(2)12-5-10-7-16-13(15)6-11(10)14(18-12)17-9(3)4/h5-9,13,16H,15H2,1-4H3,(H,17,18)
InChIKeyYPSOWOMZGTUQBZ-UHFFFAOYSA-N
XLogP0.43
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine?
The IUPAC name of 1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine (CID 170188123) is 1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine.
What is the SMILES notation for 1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine?
The canonical SMILES for 1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine is CC(C)Nc1nc(C(C)C)cc2c1=CC(N)NC=2.
What is the InChIKey of 1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine?
The InChIKey is YPSOWOMZGTUQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-8(2)12-5-10-7-16-13(15)6-11(10)14(18-12)17-9(3)4/h5-9,13,16H,15H2,1-4H3,(H,17,18).
What are the key properties of 1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine?
1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine has a molecular weight of 246.36 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine is sourced from PubChem (CID 170188123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).