N-[2-(1-adamantyl)ethyl]aniline

C18H25N — CID 23008793

IUPACN-[2-(1-adamantyl)ethyl]aniline
SMILESC1C2CC3CC1CC(C2)(C3)CCNC4=CC=CC=C4
InChIInChI=1S/C18H25N/c1-2-4-17(5-3-1)19-7-6-18-11-14-8-15(12-18)10-16(9-14)13-18/h1-5,14-16,19H,6-13H2
InChIKeyKEOIBRMZRUCQNQ-UHFFFAOYSA-N
MW255.40 g/mol
LogP5.70
Rot. Bonds4

About N-[2-(1-adamantyl)ethyl]aniline

N-[2-(1-adamantyl)ethyl]aniline (PubChem CID 23008793) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]aniline
PubChem CID23008793
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC NameN-[2-(1-adamantyl)ethyl]aniline
SMILESC1C2CC3CC1CC(C2)(C3)CCNC4=CC=CC=C4
InChIInChI=1S/C18H25N/c1-2-4-17(5-3-1)19-7-6-18-11-14-8-15(12-18)10-16(9-14)13-18/h1-5,14-16,19H,6-13H2
InChIKeyKEOIBRMZRUCQNQ-UHFFFAOYSA-N
XLogP5.70
TPSA12.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity274

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.40
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]aniline?
The IUPAC name of N-[2-(1-adamantyl)ethyl]aniline (CID 23008793) is N-[2-(1-adamantyl)ethyl]aniline.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]aniline?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]aniline is C1C2CC3CC1CC(C2)(C3)CCNC4=CC=CC=C4.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]aniline?
The InChIKey is KEOIBRMZRUCQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-2-4-17(5-3-1)19-7-6-18-11-14-8-15(12-18)10-16(9-14)13-18/h1-5,14-16,19H,6-13H2.
What are the key properties of N-[2-(1-adamantyl)ethyl]aniline?
N-[2-(1-adamantyl)ethyl]aniline has a molecular weight of 255.40 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]aniline is sourced from PubChem (CID 23008793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).