1-(3,5-dimethyl-1-adamantyl)-N,N-dimethylmethanamine

C15H27N — CID 2794255

IUPAC1-(3,5-dimethyl-1-adamantyl)-N,N-dimethylmethanamine
SMILESCN(C)CC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C15H27N/c1-13-5-12-6-14(2,8-13)10-15(7-12,9-13)11-16(3)4/h12H,5-11H2,1-4H3
InChIKeyXNDWVIUNZZRFLG-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.54
Rot. Bonds2

About 1-(3,5-dimethyl-1-adamantyl)-N,N-dimethylmethanamine

1-(3,5-dimethyl-1-adamantyl)-N,N-dimethylmethanamine (PubChem CID 2794255) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-adamantyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-adamantyl)-N,N-dimethylmethanamine
PubChem CID2794255
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name1-(3,5-dimethyl-1-adamantyl)-N,N-dimethylmethanamine
SMILESCN(C)CC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C15H27N/c1-13-5-12-6-14(2,8-13)10-15(7-12,9-13)11-16(3)4/h12H,5-11H2,1-4H3
InChIKeyXNDWVIUNZZRFLG-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-adamantyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(3,5-dimethyl-1-adamantyl)-N,N-dimethylmethanamine (CID 2794255) is 1-(3,5-dimethyl-1-adamantyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(3,5-dimethyl-1-adamantyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(3,5-dimethyl-1-adamantyl)-N,N-dimethylmethanamine is CN(C)CC12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of 1-(3,5-dimethyl-1-adamantyl)-N,N-dimethylmethanamine?
The InChIKey is XNDWVIUNZZRFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-13-5-12-6-14(2,8-13)10-15(7-12,9-13)11-16(3)4/h12H,5-11H2,1-4H3.
What are the key properties of 1-(3,5-dimethyl-1-adamantyl)-N,N-dimethylmethanamine?
1-(3,5-dimethyl-1-adamantyl)-N,N-dimethylmethanamine has a molecular weight of 221.39 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-adamantyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 2794255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).