1-[1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]-N-methylmethanamine

C15H25N5 — CID 62736135

IUPAC1-[1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]-N-methylmethanamine
SMILESCNCc1nnnn1C(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25N5/c1-10(20-14(9-16-2)17-18-19-20)15-6-11-3-12(7-15)5-13(4-11)8-15/h10-13,16H,3-9H2,1-2H3
InChIKeyPUGVYNAWESGGHQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.17
Rot. Bonds4

About 1-[1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]-N-methylmethanamine

1-[1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]-N-methylmethanamine (PubChem CID 62736135) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]-N-methylmethanamine
PubChem CID62736135
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name1-[1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]-N-methylmethanamine
SMILESCNCc1nnnn1C(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25N5/c1-10(20-14(9-16-2)17-18-19-20)15-6-11-3-12(7-15)5-13(4-11)8-15/h10-13,16H,3-9H2,1-2H3
InChIKeyPUGVYNAWESGGHQ-UHFFFAOYSA-N
XLogP2.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]-N-methylmethanamine (CID 62736135) is 1-[1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]-N-methylmethanamine is CNCc1nnnn1C(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-[1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]-N-methylmethanamine?
The InChIKey is PUGVYNAWESGGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-10(20-14(9-16-2)17-18-19-20)15-6-11-3-12(7-15)5-13(4-11)8-15/h10-13,16H,3-9H2,1-2H3.
What are the key properties of 1-[1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]-N-methylmethanamine?
1-[1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]-N-methylmethanamine has a molecular weight of 275.40 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 62736135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).