N-[2-(3,5-dimethyl-1-adamantyl)ethyl]butan-2-amine

C18H33N — CID 79987073

IUPACN-[2-(3,5-dimethyl-1-adamantyl)ethyl]butan-2-amine
SMILESCCC(C)NCCC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C18H33N/c1-5-14(2)19-7-6-18-10-15-8-16(3,12-18)11-17(4,9-15)13-18/h14-15,19H,5-13H2,1-4H3
InChIKeyYJILBWBLUYKHQT-UHFFFAOYSA-N
MW263.47 g/mol
LogP4.76
Rot. Bonds5

About N-[2-(3,5-dimethyl-1-adamantyl)ethyl]butan-2-amine

N-[2-(3,5-dimethyl-1-adamantyl)ethyl]butan-2-amine (PubChem CID 79987073) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1-adamantyl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1-adamantyl)ethyl]butan-2-amine
PubChem CID79987073
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC NameN-[2-(3,5-dimethyl-1-adamantyl)ethyl]butan-2-amine
SMILESCCC(C)NCCC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C18H33N/c1-5-14(2)19-7-6-18-10-15-8-16(3,12-18)11-17(4,9-15)13-18/h14-15,19H,5-13H2,1-4H3
InChIKeyYJILBWBLUYKHQT-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3,5-dimethyl-1-adamantyl)ethyl]-2-methylpropan-1-amine
CID 79986614
1-(3,5-dimethyl-1-adamantyl)-N-ethyl-3-methylpentan-2-amine
CID 105017513
1-(3,5-dimethyl-1-adamantyl)-N-propylpentan-2-amine
CID 114981869
[1-(3,5-dimethyl-1-adamantyl)-3-methylbutan-2-yl]hydrazine
CID 105281772
[(3S,5S)-3,5-dimethyl-1-adamantyl]methanol
CID 98043737
N-[2-(3,5-dimethyl-1-adamantyl)ethyl]cyclohexanecarboxamide
CID 3363572
1-(3,5-dimethyl-1-adamantyl)-N-ethyl-2-methylbutan-1-amine
CID 79987248
bis(1,3,5,7-tetramethyladamantane);1,3,5-trimethyladamantane
CID 158906766
1-(3,5-dimethyl-1-adamantyl)-N,N-dimethylmethanamine
CID 2794255
3,5-dimethyl-N-(2-methylbutyl)adamantan-1-amine
CID 79999123
2-[(1R,3R,5R,7R)-3-(aminomethyl)-5-methyl-1-adamantyl]ethanamine
CID 98064934
2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxybutyl)acetamide
CID 79989463

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1-adamantyl)ethyl]butan-2-amine?
The IUPAC name of N-[2-(3,5-dimethyl-1-adamantyl)ethyl]butan-2-amine (CID 79987073) is N-[2-(3,5-dimethyl-1-adamantyl)ethyl]butan-2-amine.
What is the SMILES notation for N-[2-(3,5-dimethyl-1-adamantyl)ethyl]butan-2-amine?
The canonical SMILES for N-[2-(3,5-dimethyl-1-adamantyl)ethyl]butan-2-amine is CCC(C)NCCC12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of N-[2-(3,5-dimethyl-1-adamantyl)ethyl]butan-2-amine?
The InChIKey is YJILBWBLUYKHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-5-14(2)19-7-6-18-10-15-8-16(3,12-18)11-17(4,9-15)13-18/h14-15,19H,5-13H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethyl-1-adamantyl)ethyl]butan-2-amine?
N-[2-(3,5-dimethyl-1-adamantyl)ethyl]butan-2-amine has a molecular weight of 263.47 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1-adamantyl)ethyl]butan-2-amine is sourced from PubChem (CID 79987073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).