1-[1-(aminomethyl)cycloheptyl]-2-methylpentan-1-one

C14H27NO — CID 107890324

IUPAC1-[1-(aminomethyl)cycloheptyl]-2-methylpentan-1-one
SMILESCCCC(C)C(=O)C1(CN)CCCCCC1
InChIInChI=1S/C14H27NO/c1-3-8-12(2)13(16)14(11-15)9-6-4-5-7-10-14/h12H,3-11,15H2,1-2H3
InChIKeyXWVQXDDBGKMSCV-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.29
Rot. Bonds5

About 1-[1-(aminomethyl)cycloheptyl]-2-methylpentan-1-one

1-[1-(aminomethyl)cycloheptyl]-2-methylpentan-1-one (PubChem CID 107890324) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cycloheptyl]-2-methylpentan-1-one.

Molecular Properties

Compound Name1-[1-(aminomethyl)cycloheptyl]-2-methylpentan-1-one
PubChem CID107890324
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-[1-(aminomethyl)cycloheptyl]-2-methylpentan-1-one
SMILESCCCC(C)C(=O)C1(CN)CCCCCC1
InChIInChI=1S/C14H27NO/c1-3-8-12(2)13(16)14(11-15)9-6-4-5-7-10-14/h12H,3-11,15H2,1-2H3
InChIKeyXWVQXDDBGKMSCV-UHFFFAOYSA-N
XLogP3.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)cyclohexyl]-2-methylpentan-1-one
CID 107890311
1-[1-(aminomethyl)cyclohexyl]-4-methoxy-2-methylbutan-1-one
CID 116600634
1-(1-methoxycycloheptyl)-2-methylpentan-1-one
CID 107896414
N-[1-(aminomethyl)cyclohexyl]-2-methylpentanamide
CID 63755495
1-[4-(aminomethyl)oxan-4-yl]-4-methoxy-2-methylbutan-1-one
CID 116603098
2-methyl-1-(1-methylcyclopropyl)pentan-1-one
CID 107896359
1-[1-(aminomethyl)cyclohexyl]-3-methylpentan-1-one
CID 116600566
1-(aminomethyl)-N-(2-hydroxypentyl)cyclopentane-1-carboxamide
CID 115739396
1-[1-(aminomethyl)cyclohexyl]-5-methylhexan-1-one
CID 116600664
1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide
CID 63926094
1-[1-(aminomethyl)cyclopentyl]propan-1-one
CID 116600810
1-(4-aminooxan-4-yl)-2-methylpentan-1-one
CID 107890348

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cycloheptyl]-2-methylpentan-1-one?
The IUPAC name of 1-[1-(aminomethyl)cycloheptyl]-2-methylpentan-1-one (CID 107890324) is 1-[1-(aminomethyl)cycloheptyl]-2-methylpentan-1-one.
What is the SMILES notation for 1-[1-(aminomethyl)cycloheptyl]-2-methylpentan-1-one?
The canonical SMILES for 1-[1-(aminomethyl)cycloheptyl]-2-methylpentan-1-one is CCCC(C)C(=O)C1(CN)CCCCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cycloheptyl]-2-methylpentan-1-one?
The InChIKey is XWVQXDDBGKMSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-8-12(2)13(16)14(11-15)9-6-4-5-7-10-14/h12H,3-11,15H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)cycloheptyl]-2-methylpentan-1-one?
1-[1-(aminomethyl)cycloheptyl]-2-methylpentan-1-one has a molecular weight of 225.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cycloheptyl]-2-methylpentan-1-one is sourced from PubChem (CID 107890324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).