2-amino-1-(3,3,5-trimethylazepan-1-yl)hexan-1-one

C15H30N2O — CID 21280930

IUPAC2-amino-1-(3,3,5-trimethylazepan-1-yl)hexan-1-one
SMILESCCCCC(N)C(=O)N1CCC(C)CC(C)(C)C1
InChIInChI=1S/C15H30N2O/c1-5-6-7-13(16)14(18)17-9-8-12(2)10-15(3,4)11-17/h12-13H,5-11,16H2,1-4H3
InChIKeyAZKBYNNDSKGZCK-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.79
Rot. Bonds4

About 2-amino-1-(3,3,5-trimethylazepan-1-yl)hexan-1-one

2-amino-1-(3,3,5-trimethylazepan-1-yl)hexan-1-one (PubChem CID 21280930) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-amino-1-(3,3,5-trimethylazepan-1-yl)hexan-1-one.

Molecular Properties

Compound Name2-amino-1-(3,3,5-trimethylazepan-1-yl)hexan-1-one
PubChem CID21280930
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-amino-1-(3,3,5-trimethylazepan-1-yl)hexan-1-one
SMILESCCCCC(N)C(=O)N1CCC(C)CC(C)(C)C1
InChIInChI=1S/C15H30N2O/c1-5-6-7-13(16)14(18)17-9-8-12(2)10-15(3,4)11-17/h12-13H,5-11,16H2,1-4H3
InChIKeyAZKBYNNDSKGZCK-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 103831654
2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 63626506
(2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one
CID 113304805
1-[(2S)-2-aminohexanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 93370949
(2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one
CID 107146417
(2S)-2-amino-1-(4-ethoxypiperidin-1-yl)hexan-1-one
CID 103831470
(2S)-2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]hexan-1-one
CID 103831247
2-[1-[(2S)-2-aminohexanoyl]piperidin-4-yl]acetic acid
CID 107145977
1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide
CID 60963512
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one
CID 63163139
2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride
CID 119307771
2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one
CID 54870104

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,3,5-trimethylazepan-1-yl)hexan-1-one?
The IUPAC name of 2-amino-1-(3,3,5-trimethylazepan-1-yl)hexan-1-one (CID 21280930) is 2-amino-1-(3,3,5-trimethylazepan-1-yl)hexan-1-one.
What is the SMILES notation for 2-amino-1-(3,3,5-trimethylazepan-1-yl)hexan-1-one?
The canonical SMILES for 2-amino-1-(3,3,5-trimethylazepan-1-yl)hexan-1-one is CCCCC(N)C(=O)N1CCC(C)CC(C)(C)C1.
What is the InChIKey of 2-amino-1-(3,3,5-trimethylazepan-1-yl)hexan-1-one?
The InChIKey is AZKBYNNDSKGZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-6-7-13(16)14(18)17-9-8-12(2)10-15(3,4)11-17/h12-13H,5-11,16H2,1-4H3.
What are the key properties of 2-amino-1-(3,3,5-trimethylazepan-1-yl)hexan-1-one?
2-amino-1-(3,3,5-trimethylazepan-1-yl)hexan-1-one has a molecular weight of 254.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,3,5-trimethylazepan-1-yl)hexan-1-one is sourced from PubChem (CID 21280930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).