3-(1-adamantyl)pentan-2-yl carbamate

C16H27NO2 — CID 57081308

IUPAC3-(1-adamantyl)pentan-2-yl carbamate
SMILESCCC(C(C)OC(N)=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27NO2/c1-3-14(10(2)19-15(17)18)16-7-11-4-12(8-16)6-13(5-11)9-16/h10-14H,3-9H2,1-2H3,(H2,17,18)
InChIKeyKMQAHSIEYTUSAD-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.71
Rot. Bonds4

About 3-(1-adamantyl)pentan-2-yl carbamate

3-(1-adamantyl)pentan-2-yl carbamate (PubChem CID 57081308) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(1-adamantyl)pentan-2-yl carbamate.

Molecular Properties

Compound Name3-(1-adamantyl)pentan-2-yl carbamate
PubChem CID57081308
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-(1-adamantyl)pentan-2-yl carbamate
SMILESCCC(C(C)OC(N)=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27NO2/c1-3-14(10(2)19-15(17)18)16-7-11-4-12(8-16)6-13(5-11)9-16/h10-14H,3-9H2,1-2H3,(H2,17,18)
InChIKeyKMQAHSIEYTUSAD-UHFFFAOYSA-N
XLogP3.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)pentan-2-yl carbamate?
The IUPAC name of 3-(1-adamantyl)pentan-2-yl carbamate (CID 57081308) is 3-(1-adamantyl)pentan-2-yl carbamate.
What is the SMILES notation for 3-(1-adamantyl)pentan-2-yl carbamate?
The canonical SMILES for 3-(1-adamantyl)pentan-2-yl carbamate is CCC(C(C)OC(N)=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantyl)pentan-2-yl carbamate?
The InChIKey is KMQAHSIEYTUSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-14(10(2)19-15(17)18)16-7-11-4-12(8-16)6-13(5-11)9-16/h10-14H,3-9H2,1-2H3,(H2,17,18).
What are the key properties of 3-(1-adamantyl)pentan-2-yl carbamate?
3-(1-adamantyl)pentan-2-yl carbamate has a molecular weight of 265.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)pentan-2-yl carbamate is sourced from PubChem (CID 57081308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).