1-ethyl-N,3-dimethylazepan-2-amine

C10H22N2 — CID 145261139

IUPAC1-ethyl-N,3-dimethylazepan-2-amine
SMILESCCN1CCCCC(C)C1NC
InChIInChI=1S/C10H22N2/c1-4-12-8-6-5-7-9(2)10(12)11-3/h9-11H,4-8H2,1-3H3
InChIKeyNRJNDGFSIXEFAS-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.67
Rot. Bonds2

About 1-ethyl-N,3-dimethylazepan-2-amine

1-ethyl-N,3-dimethylazepan-2-amine (PubChem CID 145261139) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-ethyl-N,3-dimethylazepan-2-amine.

Molecular Properties

Compound Name1-ethyl-N,3-dimethylazepan-2-amine
PubChem CID145261139
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-ethyl-N,3-dimethylazepan-2-amine
SMILESCCN1CCCCC(C)C1NC
InChIInChI=1S/C10H22N2/c1-4-12-8-6-5-7-9(2)10(12)11-3/h9-11H,4-8H2,1-3H3
InChIKeyNRJNDGFSIXEFAS-UHFFFAOYSA-N
XLogP1.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-ethyl-2-methylazepane
CID 145020951
ethanol;(2S)-1-ethyl-2-methylpiperidine
CID 170618464
1-ethylpiperidine-2-thiol
CID 88741057
1,2-diethylpiperidine
CID 19604037
1,3-diethyl-2-methyl-1,3-diazinane
CID 12634508
trifluoro-[(2-methylpiperidin-1-yl)methyl]boranuide
CID 63704351
(1-ethylazepan-2-yl)methanol
CID 2849413
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
1-ethyl-2-(2-methylpropyl)piperidine
CID 58904573
ethane;1-ethyl-2-methylpyrrolidine;methanol
CID 144741574
(2R,3S)-1-ethyl-2,3-dimethylpyrrolidine
CID 146922886
N-[(1-ethylpiperidin-2-yl)methyl]-1,1,1-trifluoromethanamine
CID 71635319

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N,3-dimethylazepan-2-amine?
The IUPAC name of 1-ethyl-N,3-dimethylazepan-2-amine (CID 145261139) is 1-ethyl-N,3-dimethylazepan-2-amine.
What is the SMILES notation for 1-ethyl-N,3-dimethylazepan-2-amine?
The canonical SMILES for 1-ethyl-N,3-dimethylazepan-2-amine is CCN1CCCCC(C)C1NC.
What is the InChIKey of 1-ethyl-N,3-dimethylazepan-2-amine?
The InChIKey is NRJNDGFSIXEFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-4-12-8-6-5-7-9(2)10(12)11-3/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-ethyl-N,3-dimethylazepan-2-amine?
1-ethyl-N,3-dimethylazepan-2-amine has a molecular weight of 170.30 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N,3-dimethylazepan-2-amine is sourced from PubChem (CID 145261139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).