N-(oxan-2-ylmethyl)adamantan-1-amine

C16H27NO — CID 60720566

IUPACN-(oxan-2-ylmethyl)adamantan-1-amine
SMILESC1CCC(CNC23CC4CC(CC(C4)C2)C3)OC1
InChIInChI=1S/C16H27NO/c1-2-4-18-15(3-1)11-17-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-15,17H,1-11H2
InChIKeyKSFBFFCDWBPJDC-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.11
Rot. Bonds3

About N-(oxan-2-ylmethyl)adamantan-1-amine

N-(oxan-2-ylmethyl)adamantan-1-amine (PubChem CID 60720566) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-(oxan-2-ylmethyl)adamantan-1-amine.

Molecular Properties

Compound NameN-(oxan-2-ylmethyl)adamantan-1-amine
PubChem CID60720566
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-(oxan-2-ylmethyl)adamantan-1-amine
SMILESC1CCC(CNC23CC4CC(CC(C4)C2)C3)OC1
InChIInChI=1S/C16H27NO/c1-2-4-18-15(3-1)11-17-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-15,17H,1-11H2
InChIKeyKSFBFFCDWBPJDC-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-ylmethyl)adamantan-1-amine?
The IUPAC name of N-(oxan-2-ylmethyl)adamantan-1-amine (CID 60720566) is N-(oxan-2-ylmethyl)adamantan-1-amine.
What is the SMILES notation for N-(oxan-2-ylmethyl)adamantan-1-amine?
The canonical SMILES for N-(oxan-2-ylmethyl)adamantan-1-amine is C1CCC(CNC23CC4CC(CC(C4)C2)C3)OC1.
What is the InChIKey of N-(oxan-2-ylmethyl)adamantan-1-amine?
The InChIKey is KSFBFFCDWBPJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-2-4-18-15(3-1)11-17-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-15,17H,1-11H2.
What are the key properties of N-(oxan-2-ylmethyl)adamantan-1-amine?
N-(oxan-2-ylmethyl)adamantan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-ylmethyl)adamantan-1-amine is sourced from PubChem (CID 60720566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).