N-(1-adamantylmethyl)aniline

C17H23N — CID 15516940

IUPACN-(1-adamantylmethyl)aniline
SMILESc1ccc(NCC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C17H23N/c1-2-4-16(5-3-1)18-12-17-9-13-6-14(10-17)8-15(7-13)11-17/h1-5,13-15,18H,6-12H2
InChIKeyJEGUVKSEDOMWDO-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.31
Rot. Bonds3

About N-(1-adamantylmethyl)aniline

N-(1-adamantylmethyl)aniline (PubChem CID 15516940) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is N-(1-adamantylmethyl)aniline.

Molecular Properties

Compound NameN-(1-adamantylmethyl)aniline
PubChem CID15516940
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC NameN-(1-adamantylmethyl)aniline
SMILESc1ccc(NCC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C17H23N/c1-2-4-16(5-3-1)18-12-17-9-13-6-14(10-17)8-15(7-13)11-17/h1-5,13-15,18H,6-12H2
InChIKeyJEGUVKSEDOMWDO-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Bromantan
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N-(Alpha-allylbenzyl)aniline
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N-[1-(Adamantan-1-yl)methyl]-N'-(2-fluoro-phenyl)urea
CID 108870358
1-(2-Adamantyl)-3-phenylthiourea
CID 12307752
US9205085, Msx-170
CID 23656601
US9205085, Msx-146
CID 44435745
N-(2-Ethylhexyl)aniline
CID 61484
Benzenepropanamine, N-phenyl-
CID 11735980
N-[(Adamantan-1-yl)methyl]-N'-(4-fluoro-phenyl)thiourea
CID 8744203
N-[1-(Adamantan-1-yl)ethyl]-N'-(3-fluoro-phenyl)thiourea
CID 19651576
N-[(Adamantan-1-yl)methyl]-N'-(3-fluoro-phenyl)thiourea
CID 20173062
1-[4-[1-Adamantyl(phenyl)methyl]phenyl]piperazine
CID 70683538

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)aniline?
The IUPAC name of N-(1-adamantylmethyl)aniline (CID 15516940) is N-(1-adamantylmethyl)aniline.
What is the SMILES notation for N-(1-adamantylmethyl)aniline?
The canonical SMILES for N-(1-adamantylmethyl)aniline is c1ccc(NCC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-(1-adamantylmethyl)aniline?
The InChIKey is JEGUVKSEDOMWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-2-4-16(5-3-1)18-12-17-9-13-6-14(10-17)8-15(7-13)11-17/h1-5,13-15,18H,6-12H2.
What are the key properties of N-(1-adamantylmethyl)aniline?
N-(1-adamantylmethyl)aniline has a molecular weight of 241.38 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)aniline is sourced from PubChem (CID 15516940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).