5-amino-4-methyl-1-(4-methylazepan-1-yl)pentan-1-one

C13H26N2O — CID 82689210

IUPAC5-amino-4-methyl-1-(4-methylazepan-1-yl)pentan-1-one
SMILESCC(CN)CCC(=O)N1CCCC(C)CC1
InChIInChI=1S/C13H26N2O/c1-11-4-3-8-15(9-7-11)13(16)6-5-12(2)10-14/h11-12H,3-10,14H2,1-2H3
InChIKeyBKQVMYGYSYUDCI-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.01
Rot. Bonds4

About 5-amino-4-methyl-1-(4-methylazepan-1-yl)pentan-1-one

5-amino-4-methyl-1-(4-methylazepan-1-yl)pentan-1-one (PubChem CID 82689210) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 5-amino-4-methyl-1-(4-methylazepan-1-yl)pentan-1-one.

Molecular Properties

Compound Name5-amino-4-methyl-1-(4-methylazepan-1-yl)pentan-1-one
PubChem CID82689210
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name5-amino-4-methyl-1-(4-methylazepan-1-yl)pentan-1-one
SMILESCC(CN)CCC(=O)N1CCCC(C)CC1
InChIInChI=1S/C13H26N2O/c1-11-4-3-8-15(9-7-11)13(16)6-5-12(2)10-14/h11-12H,3-10,14H2,1-2H3
InChIKeyBKQVMYGYSYUDCI-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one
CID 107222947
5-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 82684034
1-(5-amino-4-methylpentanoyl)piperidine-4-carboxamide
CID 82683543
5-amino-1-(4-methoxypiperidin-1-yl)-4-methylpentan-1-one
CID 82017222
5-amino-1-(3-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one
CID 82011405
N-[1-(5-amino-4-methylpentanoyl)piperidin-4-yl]-2-methylpropanamide
CID 82011596
5-amino-1-(4-ethoxypiperidin-1-yl)-4-methylpentan-1-one
CID 82010948
1-(5-amino-4-methylpentanoyl)pyrrolidine-3-carboxylic acid
CID 82012551
5-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-1-one
CID 82689255
4-amino-3-methoxy-1-(4-methylazepan-1-yl)butan-1-one
CID 103155888
5-amino-4-methyl-1-[4-(3-methylbutanoyl)piperazin-1-yl]pentan-1-one
CID 82011875
2-(aminomethyl)-3-methyl-1-(4-methylazepan-1-yl)butan-1-one
CID 63622833

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-1-(4-methylazepan-1-yl)pentan-1-one?
The IUPAC name of 5-amino-4-methyl-1-(4-methylazepan-1-yl)pentan-1-one (CID 82689210) is 5-amino-4-methyl-1-(4-methylazepan-1-yl)pentan-1-one.
What is the SMILES notation for 5-amino-4-methyl-1-(4-methylazepan-1-yl)pentan-1-one?
The canonical SMILES for 5-amino-4-methyl-1-(4-methylazepan-1-yl)pentan-1-one is CC(CN)CCC(=O)N1CCCC(C)CC1.
What is the InChIKey of 5-amino-4-methyl-1-(4-methylazepan-1-yl)pentan-1-one?
The InChIKey is BKQVMYGYSYUDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11-4-3-8-15(9-7-11)13(16)6-5-12(2)10-14/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 5-amino-4-methyl-1-(4-methylazepan-1-yl)pentan-1-one?
5-amino-4-methyl-1-(4-methylazepan-1-yl)pentan-1-one has a molecular weight of 226.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-1-(4-methylazepan-1-yl)pentan-1-one is sourced from PubChem (CID 82689210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).