2-(aminomethyl)-1-(cycloocten-1-yl)-3-methylbutan-1-one

C14H25NO — CID 106655359

IUPAC2-(aminomethyl)-1-(cycloocten-1-yl)-3-methylbutan-1-one
SMILESCC(C)C(CN)C(=O)C1=CCCCCCC1
InChIInChI=1S/C14H25NO/c1-11(2)13(10-15)14(16)12-8-6-4-3-5-7-9-12/h8,11,13H,3-7,9-10,15H2,1-2H3
InChIKeySWHPKZHAPOKDKD-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.07
Rot. Bonds4

About 2-(aminomethyl)-1-(cycloocten-1-yl)-3-methylbutan-1-one

2-(aminomethyl)-1-(cycloocten-1-yl)-3-methylbutan-1-one (PubChem CID 106655359) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(cycloocten-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(cycloocten-1-yl)-3-methylbutan-1-one
PubChem CID106655359
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-(aminomethyl)-1-(cycloocten-1-yl)-3-methylbutan-1-one
SMILESCC(C)C(CN)C(=O)C1=CCCCCCC1
InChIInChI=1S/C14H25NO/c1-11(2)13(10-15)14(16)12-8-6-4-3-5-7-9-12/h8,11,13H,3-7,9-10,15H2,1-2H3
InChIKeySWHPKZHAPOKDKD-UHFFFAOYSA-N
XLogP3.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one
CID 106655769
2-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655132
6-amino-1-(cyclohexen-1-yl)-2-methylheptan-1-one
CID 106655363
2-amino-1-(cyclohexen-1-yl)-3,3-dimethylbutan-1-one
CID 106655718
(2S)-2-bromo-1-(cyclopenten-1-yl)propan-1-one
CID 86337331
3-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655124
ethyl cycloundecene-1-carboxylate
CID 154164177
cycloheptene-1-carboxamide
CID 22261654
3-(aminomethyl)-1-(cyclohexen-1-yl)pentan-1-one
CID 106655578
1-(cyclohexen-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 106655273
1-(cyclohepten-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103309405
1-(cycloocten-1-yl)-2-methoxypentan-1-one
CID 106652220

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(cycloocten-1-yl)-3-methylbutan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(cycloocten-1-yl)-3-methylbutan-1-one (CID 106655359) is 2-(aminomethyl)-1-(cycloocten-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(cycloocten-1-yl)-3-methylbutan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(cycloocten-1-yl)-3-methylbutan-1-one is CC(C)C(CN)C(=O)C1=CCCCCCC1.
What is the InChIKey of 2-(aminomethyl)-1-(cycloocten-1-yl)-3-methylbutan-1-one?
The InChIKey is SWHPKZHAPOKDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(2)13(10-15)14(16)12-8-6-4-3-5-7-9-12/h8,11,13H,3-7,9-10,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(cycloocten-1-yl)-3-methylbutan-1-one?
2-(aminomethyl)-1-(cycloocten-1-yl)-3-methylbutan-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(cycloocten-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 106655359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).