N-(1-adamantylmethyl)-1-(oxolan-2-yl)methanamine

C16H27NO — CID 60691164

IUPACN-(1-adamantylmethyl)-1-(oxolan-2-yl)methanamine
SMILESC1COC(CNCC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C16H27NO/c1-2-15(18-3-1)10-17-11-16-7-12-4-13(8-16)6-14(5-12)9-16/h12-15,17H,1-11H2
InChIKeyWBMSCNQEAVOVFJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.97
Rot. Bonds4

About N-(1-adamantylmethyl)-1-(oxolan-2-yl)methanamine

N-(1-adamantylmethyl)-1-(oxolan-2-yl)methanamine (PubChem CID 60691164) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-1-(oxolan-2-yl)methanamine
PubChem CID60691164
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-(1-adamantylmethyl)-1-(oxolan-2-yl)methanamine
SMILESC1COC(CNCC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C16H27NO/c1-2-15(18-3-1)10-17-11-16-7-12-4-13(8-16)6-14(5-12)9-16/h12-15,17H,1-11H2
InChIKeyWBMSCNQEAVOVFJ-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-(1-adamantylmethyl)-1-(oxolan-2-yl)methanamine (CID 60691164) is N-(1-adamantylmethyl)-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-(1-adamantylmethyl)-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-(1-adamantylmethyl)-1-(oxolan-2-yl)methanamine is C1COC(CNCC23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of N-(1-adamantylmethyl)-1-(oxolan-2-yl)methanamine?
The InChIKey is WBMSCNQEAVOVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-2-15(18-3-1)10-17-11-16-7-12-4-13(8-16)6-14(5-12)9-16/h12-15,17H,1-11H2.
What are the key properties of N-(1-adamantylmethyl)-1-(oxolan-2-yl)methanamine?
N-(1-adamantylmethyl)-1-(oxolan-2-yl)methanamine has a molecular weight of 249.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 60691164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).