N-[(5-methyloxolan-2-yl)methyl]adamantan-1-amine

C16H27NO — CID 82834037

IUPACN-[(5-methyloxolan-2-yl)methyl]adamantan-1-amine
SMILESCC1CCC(CNC23CC4CC(CC(C4)C2)C3)O1
InChIInChI=1S/C16H27NO/c1-11-2-3-15(18-11)10-17-16-7-12-4-13(8-16)6-14(5-12)9-16/h11-15,17H,2-10H2,1H3
InChIKeyYNWKLXLORCTQEG-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.11
Rot. Bonds3

About N-[(5-methyloxolan-2-yl)methyl]adamantan-1-amine

N-[(5-methyloxolan-2-yl)methyl]adamantan-1-amine (PubChem CID 82834037) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(5-methyloxolan-2-yl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(5-methyloxolan-2-yl)methyl]adamantan-1-amine
PubChem CID82834037
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[(5-methyloxolan-2-yl)methyl]adamantan-1-amine
SMILESCC1CCC(CNC23CC4CC(CC(C4)C2)C3)O1
InChIInChI=1S/C16H27NO/c1-11-2-3-15(18-11)10-17-16-7-12-4-13(8-16)6-14(5-12)9-16/h11-15,17H,2-10H2,1H3
InChIKeyYNWKLXLORCTQEG-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-[(5-methyloxolan-2-yl)methyl]adamantan-1-amine?
The IUPAC name of N-[(5-methyloxolan-2-yl)methyl]adamantan-1-amine (CID 82834037) is N-[(5-methyloxolan-2-yl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[(5-methyloxolan-2-yl)methyl]adamantan-1-amine?
The canonical SMILES for N-[(5-methyloxolan-2-yl)methyl]adamantan-1-amine is CC1CCC(CNC23CC4CC(CC(C4)C2)C3)O1.
What is the InChIKey of N-[(5-methyloxolan-2-yl)methyl]adamantan-1-amine?
The InChIKey is YNWKLXLORCTQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-11-2-3-15(18-11)10-17-16-7-12-4-13(8-16)6-14(5-12)9-16/h11-15,17H,2-10H2,1H3.
What are the key properties of N-[(5-methyloxolan-2-yl)methyl]adamantan-1-amine?
N-[(5-methyloxolan-2-yl)methyl]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-[(5-methyloxolan-2-yl)methyl]adamantan-1-amine is sourced from PubChem (CID 82834037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).