1,3-dipropyladamantane

C16H28 — CID 600830

IUPAC1,3-dipropyladamantane
SMILESCCCC12CC3CC(C1)CC(CCC)(C3)C2
InChIInChI=1S/C16H28/c1-3-5-15-8-13-7-14(9-15)11-16(10-13,12-15)6-4-2/h13-14H,3-12H2,1-2H3
InChIKeyUHXVWOVRLUXCFE-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.17
Rot. Bonds4

About 1,3-dipropyladamantane

1,3-dipropyladamantane (PubChem CID 600830) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1,3-dipropyladamantane.

Molecular Properties

Compound Name1,3-dipropyladamantane
PubChem CID600830
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name1,3-dipropyladamantane
SMILESCCCC12CC3CC(C1)CC(CCC)(C3)C2
InChIInChI=1S/C16H28/c1-3-5-15-8-13-7-14(9-15)11-16(10-13,12-15)6-4-2/h13-14H,3-12H2,1-2H3
InChIKeyUHXVWOVRLUXCFE-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dipropyladamantane?
The IUPAC name of 1,3-dipropyladamantane (CID 600830) is 1,3-dipropyladamantane.
What is the SMILES notation for 1,3-dipropyladamantane?
The canonical SMILES for 1,3-dipropyladamantane is CCCC12CC3CC(C1)CC(CCC)(C3)C2.
What is the InChIKey of 1,3-dipropyladamantane?
The InChIKey is UHXVWOVRLUXCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-3-5-15-8-13-7-14(9-15)11-16(10-13,12-15)6-4-2/h13-14H,3-12H2,1-2H3.
What are the key properties of 1,3-dipropyladamantane?
1,3-dipropyladamantane has a molecular weight of 220.40 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipropyladamantane is sourced from PubChem (CID 600830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).