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

C20H32N4 — CID 170188169

IUPAC7-N-cyclohexyl-1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine
SMILESCC(C)Nc1nc(C(C)C)cc2c1=CC(NC1CCCCC1)NC=2
InChIInChI=1S/C20H32N4/c1-13(2)18-10-15-12-21-19(23-16-8-6-5-7-9-16)11-17(15)20(24-18)22-14(3)4/h10-14,16,19,21,23H,5-9H2,1-4H3,(H,22,24)
InChIKeyVZOMVNSOEIDBEF-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.40
Rot. Bonds5

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

7-N-cyclohexyl-1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine (PubChem CID 170188169) has the molecular formula C20H32N4 and a molecular weight of 328.50 g/mol. Its IUPAC name is 7-N-cyclohexyl-1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine.

Molecular Properties

Compound Name7-N-cyclohexyl-1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine
PubChem CID170188169
Molecular FormulaC20H32N4
Molecular Weight328.50 g/mol
Exact Mass328.26
IUPAC Name7-N-cyclohexyl-1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine
SMILESCC(C)Nc1nc(C(C)C)cc2c1=CC(NC1CCCCC1)NC=2
InChIInChI=1S/C20H32N4/c1-13(2)18-10-15-12-21-19(23-16-8-6-5-7-9-16)11-17(15)20(24-18)22-14(3)4/h10-14,16,19,21,23H,5-9H2,1-4H3,(H,22,24)
InChIKeyVZOMVNSOEIDBEF-UHFFFAOYSA-N
XLogP2.40
TPSA48.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-N-cyclohexyl-1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine?
The IUPAC name of 7-N-cyclohexyl-1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine (CID 170188169) is 7-N-cyclohexyl-1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine.
What is the SMILES notation for 7-N-cyclohexyl-1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine?
The canonical SMILES for 7-N-cyclohexyl-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(NC1CCCCC1)NC=2.
What is the InChIKey of 7-N-cyclohexyl-1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine?
The InChIKey is VZOMVNSOEIDBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4/c1-13(2)18-10-15-12-21-19(23-16-8-6-5-7-9-16)11-17(15)20(24-18)22-14(3)4/h10-14,16,19,21,23H,5-9H2,1-4H3,(H,22,24).
What are the key properties of 7-N-cyclohexyl-1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine?
7-N-cyclohexyl-1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine has a molecular weight of 328.50 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-cyclohexyl-1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine is sourced from PubChem (CID 170188169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).