N-[1-(1-adamantyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine

C19H33N — CID 79352687

IUPACN-[1-(1-adamantyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCC(NC1C(C)(C)C1(C)C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H33N/c1-12(20-16-17(2,3)18(16,4)5)19-9-13-6-14(10-19)8-15(7-13)11-19/h12-16,20H,6-11H2,1-5H3
InChIKeyWHXAUZOLHLSDHL-UHFFFAOYSA-N
MW275.48 g/mol
LogP4.62
Rot. Bonds3

About N-[1-(1-adamantyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine

N-[1-(1-adamantyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine (PubChem CID 79352687) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine
PubChem CID79352687
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC NameN-[1-(1-adamantyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCC(NC1C(C)(C)C1(C)C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H33N/c1-12(20-16-17(2,3)18(16,4)5)19-9-13-6-14(10-19)8-15(7-13)11-19/h12-16,20H,6-11H2,1-5H3
InChIKeyWHXAUZOLHLSDHL-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(1-adamantyl)ethyl]cyclohexanamine
CID 11777452
1-(1-adamantyl)ethylhydrazine
CID 23008707
N-[1-(1-adamantyl)ethyl]thiolan-3-amine
CID 43177652
(1S)-1-(1-adamantyl)-N-methoxyethanamine
CID 164724198
trans-(1S,2S)-2-[1-(1-adamantyl)ethylamino]cyclopentan-1-ol
CID 102732911
1-propan-2-yladamantane;1-propan-2-ylbicyclo[1.1.1]pentane
CID 159977923
N-[1-(1-adamantyl)ethyl]prop-2-yn-1-amine
CID 4724201
N-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide
CID 7065184
2-[1-(1-adamantyl)ethylamino]propanoic acid
CID 54959577
(1R)-1-(1-adamantyl)ethanamine
CID 7048786
1-[(1R)-1-chloroethyl]adamantane
CID 94672919
N-[1-(1-adamantyl)ethyl]hexan-3-amine
CID 55193331

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine (CID 79352687) is N-[1-(1-adamantyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine is CC(NC1C(C)(C)C1(C)C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The InChIKey is WHXAUZOLHLSDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-12(20-16-17(2,3)18(16,4)5)19-9-13-6-14(10-19)8-15(7-13)11-19/h12-16,20H,6-11H2,1-5H3.
What are the key properties of N-[1-(1-adamantyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
N-[1-(1-adamantyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine is sourced from PubChem (CID 79352687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).