1-(4,4-dimethylazepan-1-yl)-N-ethylpropan-2-amine

C13H28N2 — CID 65281511

IUPAC1-(4,4-dimethylazepan-1-yl)-N-ethylpropan-2-amine
SMILESCCNC(C)CN1CCCC(C)(C)CC1
InChIInChI=1S/C13H28N2/c1-5-14-12(2)11-15-9-6-7-13(3,4)8-10-15/h12,14H,5-11H2,1-4H3
InChIKeyHTBPXSIPPWZFGM-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds4

About 1-(4,4-dimethylazepan-1-yl)-N-ethylpropan-2-amine

1-(4,4-dimethylazepan-1-yl)-N-ethylpropan-2-amine (PubChem CID 65281511) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-(4,4-dimethylazepan-1-yl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(4,4-dimethylazepan-1-yl)-N-ethylpropan-2-amine
PubChem CID65281511
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-(4,4-dimethylazepan-1-yl)-N-ethylpropan-2-amine
SMILESCCNC(C)CN1CCCC(C)(C)CC1
InChIInChI=1S/C13H28N2/c1-5-14-12(2)11-15-9-6-7-13(3,4)8-10-15/h12,14H,5-11H2,1-4H3
InChIKeyHTBPXSIPPWZFGM-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4,4-dimethylazepan-1-yl)-N-ethylbutan-2-amine
CID 65281071
1-(3-azaspiro[5.5]undecan-3-yl)-N-ethylpropan-2-amine
CID 55156311
1-cyclohexyl-2-(4,4-dimethylazepan-1-yl)-N-ethylethanamine
CID 104746542
3-(4,4-dimethylazepan-1-yl)-2-methyl-N-propylpropan-1-amine
CID 65282503
2-(4,4-dimethylazepan-1-yl)-N-ethyl-1-phenylethanamine
CID 65280974
3-(4,4-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62931692
1-(4,4-dimethylazepan-1-yl)-N-propylbutan-2-amine
CID 65281081
7-(4,4-dimethylazepan-1-yl)-6-methylheptan-2-amine
CID 65296260
1-(2,2-dimethoxyethyl)-4,4-dimethylazepane
CID 66222358
4,4-dimethyl-1-(2-methylpropyl)piperidine;3,3-dimethyl-1-propylpiperidine
CID 177033063
3-(4,4-dimethylazepan-1-yl)-2-methylpropanimidamide
CID 65281491
4-(3,3-dimethylpiperidin-1-yl)-N-ethylpentan-2-amine
CID 64708691

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylazepan-1-yl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(4,4-dimethylazepan-1-yl)-N-ethylpropan-2-amine (CID 65281511) is 1-(4,4-dimethylazepan-1-yl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(4,4-dimethylazepan-1-yl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(4,4-dimethylazepan-1-yl)-N-ethylpropan-2-amine is CCNC(C)CN1CCCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylazepan-1-yl)-N-ethylpropan-2-amine?
The InChIKey is HTBPXSIPPWZFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-14-12(2)11-15-9-6-7-13(3,4)8-10-15/h12,14H,5-11H2,1-4H3.
What are the key properties of 1-(4,4-dimethylazepan-1-yl)-N-ethylpropan-2-amine?
1-(4,4-dimethylazepan-1-yl)-N-ethylpropan-2-amine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylazepan-1-yl)-N-ethylpropan-2-amine is sourced from PubChem (CID 65281511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).