1-adamantyl(azepan-1-yl)methanone

C17H27NO — CID 2838808

IUPAC1-adamantyl(azepan-1-yl)methanone
SMILESO=C(N1CCCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27NO/c19-16(18-5-3-1-2-4-6-18)17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,1-12H2
InChIKeyXICGPKIYVIIEFX-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.61
Rot. Bonds1

About 1-adamantyl(azepan-1-yl)methanone

1-adamantyl(azepan-1-yl)methanone (PubChem CID 2838808) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-adamantyl(azepan-1-yl)methanone.

Molecular Properties

Compound Name1-adamantyl(azepan-1-yl)methanone
PubChem CID2838808
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-adamantyl(azepan-1-yl)methanone
SMILESO=C(N1CCCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27NO/c19-16(18-5-3-1-2-4-6-18)17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,1-12H2
InChIKeyXICGPKIYVIIEFX-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(adamantane-1-carbonyl)piperidine-3-carboxamide
CID 128950015
1-adamantyl(piperazin-1-yl)methanone;hydrochloride
CID 17233942
1-adamantyl(1,4,7,10,13,16-hexaoxa-19-azacyclohenicos-19-yl)methanone
CID 19387509
1-adamantyl(1,3-oxazinan-3-yl)methanone
CID 110739642
1-adamantyl-(4-aminopiperidin-1-yl)methanone;hydrochloride
CID 110204181
(4-methylpiperazin-1-yl)-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone
CID 7471137
methyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate
CID 110365670
[4-[(3S,6S)-tricyclo[4.3.1.13,8]undecane-1-carbonyl]piperazin-1-yl]-[(1R,8R)-3-tricyclo[4.3.1.13,8]undecanyl]methanone
CID 98129534
1-adamantyl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 75407812
1-adamantyl(1,3-thiazolidin-3-yl)methanone
CID 122332032
azetidin-1-yl-[(5R,7R)-3-chloro-1-adamantyl]methanone
CID 98460118
1-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]azocan-2-one
CID 55758315

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl(azepan-1-yl)methanone?
The IUPAC name of 1-adamantyl(azepan-1-yl)methanone (CID 2838808) is 1-adamantyl(azepan-1-yl)methanone.
What is the SMILES notation for 1-adamantyl(azepan-1-yl)methanone?
The canonical SMILES for 1-adamantyl(azepan-1-yl)methanone is O=C(N1CCCCCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl(azepan-1-yl)methanone?
The InChIKey is XICGPKIYVIIEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c19-16(18-5-3-1-2-4-6-18)17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,1-12H2.
What are the key properties of 1-adamantyl(azepan-1-yl)methanone?
1-adamantyl(azepan-1-yl)methanone has a molecular weight of 261.41 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl(azepan-1-yl)methanone is sourced from PubChem (CID 2838808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).