2-(4,4-dimethylazepan-1-yl)-N-ethyl-1-phenylethanamine

C18H30N2 — CID 65280974

IUPAC2-(4,4-dimethylazepan-1-yl)-N-ethyl-1-phenylethanamine
SMILESCCNC(CN1CCCC(C)(C)CC1)c1ccccc1
InChIInChI=1S/C18H30N2/c1-4-19-17(16-9-6-5-7-10-16)15-20-13-8-11-18(2,3)12-14-20/h5-7,9-10,17,19H,4,8,11-15H2,1-3H3
InChIKeyHFZCRHVVFHWECI-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.85
Rot. Bonds5

About 2-(4,4-dimethylazepan-1-yl)-N-ethyl-1-phenylethanamine

2-(4,4-dimethylazepan-1-yl)-N-ethyl-1-phenylethanamine (PubChem CID 65280974) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-(4,4-dimethylazepan-1-yl)-N-ethyl-1-phenylethanamine.

Molecular Properties

Compound Name2-(4,4-dimethylazepan-1-yl)-N-ethyl-1-phenylethanamine
PubChem CID65280974
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-(4,4-dimethylazepan-1-yl)-N-ethyl-1-phenylethanamine
SMILESCCNC(CN1CCCC(C)(C)CC1)c1ccccc1
InChIInChI=1S/C18H30N2/c1-4-19-17(16-9-6-5-7-10-16)15-20-13-8-11-18(2,3)12-14-20/h5-7,9-10,17,19H,4,8,11-15H2,1-3H3
InChIKeyHFZCRHVVFHWECI-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-ethyl-1-phenyl-2-pyrrolidin-1-ylethanamine;molecular hydrogen
CID 143114287
3-(4,4-dimethylazepan-1-yl)-2-methyl-1-phenylpropan-1-amine
CID 65282253
N-ethyl-1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103495170
1-(4,4-dimethylazepan-1-yl)-N-ethylpropan-2-amine
CID 65281511
2-(4-tert-butylpiperidin-1-yl)-N-ethyl-1-phenylethanamine
CID 63468213
3-(4,4-dimethylazepan-1-yl)-2-phenylpropanethioamide
CID 65281338
N-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1-phenylethanamine
CID 62986930
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethyl-1-phenylethanamine
CID 63149781
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527
(1R)-N-(2-ethoxyethyl)-1-phenyl-2-piperidin-1-ylethanamine
CID 89003231
(1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine
CID 11254892
1-[2-(ethylamino)-2-phenylethyl]-4,4-dimethylpiperidine-2,6-dione
CID 62933262

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylazepan-1-yl)-N-ethyl-1-phenylethanamine?
The IUPAC name of 2-(4,4-dimethylazepan-1-yl)-N-ethyl-1-phenylethanamine (CID 65280974) is 2-(4,4-dimethylazepan-1-yl)-N-ethyl-1-phenylethanamine.
What is the SMILES notation for 2-(4,4-dimethylazepan-1-yl)-N-ethyl-1-phenylethanamine?
The canonical SMILES for 2-(4,4-dimethylazepan-1-yl)-N-ethyl-1-phenylethanamine is CCNC(CN1CCCC(C)(C)CC1)c1ccccc1.
What is the InChIKey of 2-(4,4-dimethylazepan-1-yl)-N-ethyl-1-phenylethanamine?
The InChIKey is HFZCRHVVFHWECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-19-17(16-9-6-5-7-10-16)15-20-13-8-11-18(2,3)12-14-20/h5-7,9-10,17,19H,4,8,11-15H2,1-3H3.
What are the key properties of 2-(4,4-dimethylazepan-1-yl)-N-ethyl-1-phenylethanamine?
2-(4,4-dimethylazepan-1-yl)-N-ethyl-1-phenylethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylazepan-1-yl)-N-ethyl-1-phenylethanamine is sourced from PubChem (CID 65280974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).