2,2-diethyl-N-methyladamantan-1-amine

C15H27N — CID 71450359

IUPAC2,2-diethyl-N-methyladamantan-1-amine
SMILESCCC1(CC)C2CC3CC(C2)CC1(NC)C3
InChIInChI=1S/C15H27N/c1-4-14(5-2)13-7-11-6-12(8-13)10-15(14,9-11)16-3/h11-13,16H,4-10H2,1-3H3
InChIKeyYGDGWJWCWSQRCX-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.59
Rot. Bonds3

About 2,2-diethyl-N-methyladamantan-1-amine

2,2-diethyl-N-methyladamantan-1-amine (PubChem CID 71450359) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 2,2-diethyl-N-methyladamantan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-N-methyladamantan-1-amine
PubChem CID71450359
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name2,2-diethyl-N-methyladamantan-1-amine
SMILESCCC1(CC)C2CC3CC(C2)CC1(NC)C3
InChIInChI=1S/C15H27N/c1-4-14(5-2)13-7-11-6-12(8-13)10-15(14,9-11)16-3/h11-13,16H,4-10H2,1-3H3
InChIKeyYGDGWJWCWSQRCX-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-methyladamantan-1-amine?
The IUPAC name of 2,2-diethyl-N-methyladamantan-1-amine (CID 71450359) is 2,2-diethyl-N-methyladamantan-1-amine.
What is the SMILES notation for 2,2-diethyl-N-methyladamantan-1-amine?
The canonical SMILES for 2,2-diethyl-N-methyladamantan-1-amine is CCC1(CC)C2CC3CC(C2)CC1(NC)C3.
What is the InChIKey of 2,2-diethyl-N-methyladamantan-1-amine?
The InChIKey is YGDGWJWCWSQRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-4-14(5-2)13-7-11-6-12(8-13)10-15(14,9-11)16-3/h11-13,16H,4-10H2,1-3H3.
What are the key properties of 2,2-diethyl-N-methyladamantan-1-amine?
2,2-diethyl-N-methyladamantan-1-amine has a molecular weight of 221.39 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-methyladamantan-1-amine is sourced from PubChem (CID 71450359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).