1-(1-adamantyl)-N-methyl-2-(2-methylpentoxy)ethanamine

C19H35NO — CID 103283381

IUPAC1-(1-adamantyl)-N-methyl-2-(2-methylpentoxy)ethanamine
SMILESCCCC(C)COCC(NC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H35NO/c1-4-5-14(2)12-21-13-18(20-3)19-9-15-6-16(10-19)8-17(7-15)11-19/h14-18,20H,4-13H2,1-3H3
InChIKeyVXAUHLYDUBTXHC-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.24
Rot. Bonds8

About 1-(1-adamantyl)-N-methyl-2-(2-methylpentoxy)ethanamine

1-(1-adamantyl)-N-methyl-2-(2-methylpentoxy)ethanamine (PubChem CID 103283381) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-methyl-2-(2-methylpentoxy)ethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-methyl-2-(2-methylpentoxy)ethanamine
PubChem CID103283381
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name1-(1-adamantyl)-N-methyl-2-(2-methylpentoxy)ethanamine
SMILESCCCC(C)COCC(NC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H35NO/c1-4-5-14(2)12-21-13-18(20-3)19-9-15-6-16(10-19)8-17(7-15)11-19/h14-18,20H,4-13H2,1-3H3
InChIKeyVXAUHLYDUBTXHC-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-adamantyl)-N-methyl-2-pentan-2-yloxyethanamine
CID 102981201
1-(1-adamantyl)-3-ethyl-N-methylpentan-1-amine
CID 82923509
1-(1-adamantyl)-N,2-dimethylpentan-1-amine
CID 107893392
1-(1-adamantyl)-N-methylpent-4-yn-1-amine
CID 55248533
1-(1-adamantyl)-N-methylbut-3-yn-1-amine
CID 62796404
1-(1-adamantyl)-N'-cyclopropyl-N-methyl-N'-propylethane-1,2-diamine
CID 63467165
1-(1-adamantyl)-N-methyl-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 63467939
1-(1-adamantyl)-N'-butyl-N'-ethyl-N-methylethane-1,2-diamine
CID 63466577
N-[2-methyl-3-(2-methylpentoxy)propyl]cyclopropanamine
CID 103284483
N-[1-(1-adamantyl)ethyl]hexan-3-amine
CID 55193331
1-(1-adamantyl)-N'-cyclopropyl-N'-ethyl-N-methylethane-1,2-diamine
CID 63466428
1-(1-adamantyl)-N-propylpropan-1-amine
CID 63420045

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-methyl-2-(2-methylpentoxy)ethanamine?
The IUPAC name of 1-(1-adamantyl)-N-methyl-2-(2-methylpentoxy)ethanamine (CID 103283381) is 1-(1-adamantyl)-N-methyl-2-(2-methylpentoxy)ethanamine.
What is the SMILES notation for 1-(1-adamantyl)-N-methyl-2-(2-methylpentoxy)ethanamine?
The canonical SMILES for 1-(1-adamantyl)-N-methyl-2-(2-methylpentoxy)ethanamine is CCCC(C)COCC(NC)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-N-methyl-2-(2-methylpentoxy)ethanamine?
The InChIKey is VXAUHLYDUBTXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-4-5-14(2)12-21-13-18(20-3)19-9-15-6-16(10-19)8-17(7-15)11-19/h14-18,20H,4-13H2,1-3H3.
What are the key properties of 1-(1-adamantyl)-N-methyl-2-(2-methylpentoxy)ethanamine?
1-(1-adamantyl)-N-methyl-2-(2-methylpentoxy)ethanamine has a molecular weight of 293.50 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N-methyl-2-(2-methylpentoxy)ethanamine is sourced from PubChem (CID 103283381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).