2-(aminomethyl)-1-(4-ethylazepan-1-yl)-2-methylbutan-1-one

C14H28N2O — CID 114290751

IUPAC2-(aminomethyl)-1-(4-ethylazepan-1-yl)-2-methylbutan-1-one
SMILESCCC1CCCN(C(=O)C(C)(CC)CN)CC1
InChIInChI=1S/C14H28N2O/c1-4-12-7-6-9-16(10-8-12)13(17)14(3,5-2)11-15/h12H,4-11,15H2,1-3H3
InChIKeyUOQGYVCMPYWJOP-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.40
Rot. Bonds4

About 2-(aminomethyl)-1-(4-ethylazepan-1-yl)-2-methylbutan-1-one

2-(aminomethyl)-1-(4-ethylazepan-1-yl)-2-methylbutan-1-one (PubChem CID 114290751) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(4-ethylazepan-1-yl)-2-methylbutan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(4-ethylazepan-1-yl)-2-methylbutan-1-one
PubChem CID114290751
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-(aminomethyl)-1-(4-ethylazepan-1-yl)-2-methylbutan-1-one
SMILESCCC1CCCN(C(=O)C(C)(CC)CN)CC1
InChIInChI=1S/C14H28N2O/c1-4-12-7-6-9-16(10-8-12)13(17)14(3,5-2)11-15/h12H,4-11,15H2,1-3H3
InChIKeyUOQGYVCMPYWJOP-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethylazepan-1-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82821966
N-[[1-[2-(aminomethyl)-2-methylbutanoyl]piperidin-4-yl]methyl]acetamide
CID 102736157
2-amino-1-(4-ethylazepan-1-yl)-2-methylpentan-1-one;hydrochloride
CID 119794919
2-amino-1-(4-ethylazepan-1-yl)-3,3-dimethylbutan-1-one
CID 77024566
2-(aminomethyl)-1-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-one
CID 103531981
3-(4-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82821371
2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbutan-1-one
CID 102956889
2-(aminomethyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-one
CID 107217992
2-(aminomethyl)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylbutan-1-one
CID 113270081
2-(aminomethyl)-1-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutan-1-one
CID 114290679
2-(aminomethyl)-2-methyl-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one
CID 114290672
N,4-diethylazepane-1-carboxamide
CID 89043568

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(4-ethylazepan-1-yl)-2-methylbutan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(4-ethylazepan-1-yl)-2-methylbutan-1-one (CID 114290751) is 2-(aminomethyl)-1-(4-ethylazepan-1-yl)-2-methylbutan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(4-ethylazepan-1-yl)-2-methylbutan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(4-ethylazepan-1-yl)-2-methylbutan-1-one is CCC1CCCN(C(=O)C(C)(CC)CN)CC1.
What is the InChIKey of 2-(aminomethyl)-1-(4-ethylazepan-1-yl)-2-methylbutan-1-one?
The InChIKey is UOQGYVCMPYWJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-12-7-6-9-16(10-8-12)13(17)14(3,5-2)11-15/h12H,4-11,15H2,1-3H3.
What are the key properties of 2-(aminomethyl)-1-(4-ethylazepan-1-yl)-2-methylbutan-1-one?
2-(aminomethyl)-1-(4-ethylazepan-1-yl)-2-methylbutan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(4-ethylazepan-1-yl)-2-methylbutan-1-one is sourced from PubChem (CID 114290751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).