1-(3,5-dimethyl-1-adamantyl)-N-ethyl-3-methylpentan-2-amine

C20H37N — CID 105017513

IUPAC1-(3,5-dimethyl-1-adamantyl)-N-ethyl-3-methylpentan-2-amine
SMILESCCNC(CC12CC3CC(C)(CC(C)(C3)C1)C2)C(C)CC
InChIInChI=1S/C20H37N/c1-6-15(3)17(21-7-2)11-20-10-16-8-18(4,13-20)12-19(5,9-16)14-20/h15-17,21H,6-14H2,1-5H3
InChIKeyHBPYZEFAHYAHGW-UHFFFAOYSA-N
MW291.52 g/mol
LogP5.40
Rot. Bonds6

About 1-(3,5-dimethyl-1-adamantyl)-N-ethyl-3-methylpentan-2-amine

1-(3,5-dimethyl-1-adamantyl)-N-ethyl-3-methylpentan-2-amine (PubChem CID 105017513) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-adamantyl)-N-ethyl-3-methylpentan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-adamantyl)-N-ethyl-3-methylpentan-2-amine
PubChem CID105017513
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name1-(3,5-dimethyl-1-adamantyl)-N-ethyl-3-methylpentan-2-amine
SMILESCCNC(CC12CC3CC(C)(CC(C)(C3)C1)C2)C(C)CC
InChIInChI=1S/C20H37N/c1-6-15(3)17(21-7-2)11-20-10-16-8-18(4,13-20)12-19(5,9-16)14-20/h15-17,21H,6-14H2,1-5H3
InChIKeyHBPYZEFAHYAHGW-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-adamantyl)-N-ethyl-3-methylpentan-2-amine?
The IUPAC name of 1-(3,5-dimethyl-1-adamantyl)-N-ethyl-3-methylpentan-2-amine (CID 105017513) is 1-(3,5-dimethyl-1-adamantyl)-N-ethyl-3-methylpentan-2-amine.
What is the SMILES notation for 1-(3,5-dimethyl-1-adamantyl)-N-ethyl-3-methylpentan-2-amine?
The canonical SMILES for 1-(3,5-dimethyl-1-adamantyl)-N-ethyl-3-methylpentan-2-amine is CCNC(CC12CC3CC(C)(CC(C)(C3)C1)C2)C(C)CC.
What is the InChIKey of 1-(3,5-dimethyl-1-adamantyl)-N-ethyl-3-methylpentan-2-amine?
The InChIKey is HBPYZEFAHYAHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-6-15(3)17(21-7-2)11-20-10-16-8-18(4,13-20)12-19(5,9-16)14-20/h15-17,21H,6-14H2,1-5H3.
What are the key properties of 1-(3,5-dimethyl-1-adamantyl)-N-ethyl-3-methylpentan-2-amine?
1-(3,5-dimethyl-1-adamantyl)-N-ethyl-3-methylpentan-2-amine has a molecular weight of 291.52 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-adamantyl)-N-ethyl-3-methylpentan-2-amine is sourced from PubChem (CID 105017513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).