[1-(aminomethyl)cyclobutyl]-(cycloocten-1-yl)methanone

C14H23NO — CID 106655611

IUPAC[1-(aminomethyl)cyclobutyl]-(cycloocten-1-yl)methanone
SMILESNCC1(C(=O)C2=CCCCCCC2)CCC1
InChIInChI=1S/C14H23NO/c15-11-14(9-6-10-14)13(16)12-7-4-2-1-3-5-8-12/h7H,1-6,8-11,15H2
InChIKeyIELODYKBMIQCRK-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.97
Rot. Bonds3

About [1-(aminomethyl)cyclobutyl]-(cycloocten-1-yl)methanone

[1-(aminomethyl)cyclobutyl]-(cycloocten-1-yl)methanone (PubChem CID 106655611) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]-(cycloocten-1-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]-(cycloocten-1-yl)methanone
PubChem CID106655611
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name[1-(aminomethyl)cyclobutyl]-(cycloocten-1-yl)methanone
SMILESNCC1(C(=O)C2=CCCCCCC2)CCC1
InChIInChI=1S/C14H23NO/c15-11-14(9-6-10-14)13(16)12-7-4-2-1-3-5-8-12/h7H,1-6,8-11,15H2
InChIKeyIELODYKBMIQCRK-UHFFFAOYSA-N
XLogP2.97
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655124
2-[1-(aminomethyl)cyclohexyl]-1-(cyclohexen-1-yl)ethanone
CID 106655745
cycloheptene-1-carboxamide
CID 22261654
cyclohexen-1-yl-(1-hydroxycyclopentyl)methanone
CID 106652335
1-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1-carboxamide
CID 115437246
cyclohepten-1-yl-(4-ethoxyoxan-4-yl)methanone
CID 106652265
1-(cyclohexen-1-yl)ethanone;propane
CID 142317492
[1-(aminomethyl)cyclobutyl]-phenylmethanone
CID 116600332
ethyl cycloundecene-1-carboxylate
CID 154164177
cyclohepten-1-yl-(1-methoxycyclopentyl)methanone
CID 106652202
cycloocten-1-yl-(1-methoxycyclohexyl)methanone
CID 106652256
2-(2-aminoethoxy)-1-(cyclohexen-1-yl)ethanone
CID 106655526

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]-(cycloocten-1-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclobutyl]-(cycloocten-1-yl)methanone (CID 106655611) is [1-(aminomethyl)cyclobutyl]-(cycloocten-1-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]-(cycloocten-1-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]-(cycloocten-1-yl)methanone is NCC1(C(=O)C2=CCCCCCC2)CCC1.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]-(cycloocten-1-yl)methanone?
The InChIKey is IELODYKBMIQCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c15-11-14(9-6-10-14)13(16)12-7-4-2-1-3-5-8-12/h7H,1-6,8-11,15H2.
What are the key properties of [1-(aminomethyl)cyclobutyl]-(cycloocten-1-yl)methanone?
[1-(aminomethyl)cyclobutyl]-(cycloocten-1-yl)methanone has a molecular weight of 221.34 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclobutyl]-(cycloocten-1-yl)methanone is sourced from PubChem (CID 106655611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).