6-amino-1-(cyclohexen-1-yl)-2-methylheptan-1-one

C14H25NO — CID 106655363

IUPAC6-amino-1-(cyclohexen-1-yl)-2-methylheptan-1-one
SMILESCC(N)CCCC(C)C(=O)C1=CCCCC1
InChIInChI=1S/C14H25NO/c1-11(7-6-8-12(2)15)14(16)13-9-4-3-5-10-13/h9,11-12H,3-8,10,15H2,1-2H3
InChIKeySGSQQZDKYBBLTO-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.21
Rot. Bonds6

About 6-amino-1-(cyclohexen-1-yl)-2-methylheptan-1-one

6-amino-1-(cyclohexen-1-yl)-2-methylheptan-1-one (PubChem CID 106655363) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 6-amino-1-(cyclohexen-1-yl)-2-methylheptan-1-one.

Molecular Properties

Compound Name6-amino-1-(cyclohexen-1-yl)-2-methylheptan-1-one
PubChem CID106655363
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name6-amino-1-(cyclohexen-1-yl)-2-methylheptan-1-one
SMILESCC(N)CCCC(C)C(=O)C1=CCCCC1
InChIInChI=1S/C14H25NO/c1-11(7-6-8-12(2)15)14(16)13-9-4-3-5-10-13/h9,11-12H,3-8,10,15H2,1-2H3
InChIKeySGSQQZDKYBBLTO-UHFFFAOYSA-N
XLogP3.21
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-1-(cycloocten-1-yl)hexan-1-one
CID 106655703
2-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655132
2-(aminomethyl)-1-(cycloocten-1-yl)-3-methylbutan-1-one
CID 106655359
1-(cyclohexen-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 106655273
1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one
CID 106655769
2-amino-1-(cyclohexen-1-yl)-3,3-dimethylbutan-1-one
CID 106655718
6-amino-1-(cyclohexen-1-yl)-4-ethylhexan-1-one
CID 106655401
1-(cyclohexen-1-yl)-2-ethoxypentan-1-one
CID 106652219
(2S)-2-bromo-1-(cyclopenten-1-yl)propan-1-one
CID 86337331
1-(cyclopenten-1-yl)-2,2-diethoxyethanone
CID 55269182
1-(cycloocten-1-yl)-2-methoxypentan-1-one
CID 106652220
6-amino-2-methyl-1-(3-methylthiophen-2-yl)heptan-1-one
CID 116574175

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(cyclohexen-1-yl)-2-methylheptan-1-one?
The IUPAC name of 6-amino-1-(cyclohexen-1-yl)-2-methylheptan-1-one (CID 106655363) is 6-amino-1-(cyclohexen-1-yl)-2-methylheptan-1-one.
What is the SMILES notation for 6-amino-1-(cyclohexen-1-yl)-2-methylheptan-1-one?
The canonical SMILES for 6-amino-1-(cyclohexen-1-yl)-2-methylheptan-1-one is CC(N)CCCC(C)C(=O)C1=CCCCC1.
What is the InChIKey of 6-amino-1-(cyclohexen-1-yl)-2-methylheptan-1-one?
The InChIKey is SGSQQZDKYBBLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(7-6-8-12(2)15)14(16)13-9-4-3-5-10-13/h9,11-12H,3-8,10,15H2,1-2H3.
What are the key properties of 6-amino-1-(cyclohexen-1-yl)-2-methylheptan-1-one?
6-amino-1-(cyclohexen-1-yl)-2-methylheptan-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(cyclohexen-1-yl)-2-methylheptan-1-one is sourced from PubChem (CID 106655363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).