1-(1-ethylazepan-4-yl)-3,3-dimethylpiperidin-4-amine

C15H31N3 — CID 114267616

IUPAC1-(1-ethylazepan-4-yl)-3,3-dimethylpiperidin-4-amine
SMILESCCN1CCCC(N2CCC(N)C(C)(C)C2)CC1
InChIInChI=1S/C15H31N3/c1-4-17-9-5-6-13(7-10-17)18-11-8-14(16)15(2,3)12-18/h13-14H,4-12,16H2,1-3H3
InChIKeySKKYKMBLYAHXTM-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.92
Rot. Bonds2

About 1-(1-ethylazepan-4-yl)-3,3-dimethylpiperidin-4-amine

1-(1-ethylazepan-4-yl)-3,3-dimethylpiperidin-4-amine (PubChem CID 114267616) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-(1-ethylazepan-4-yl)-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(1-ethylazepan-4-yl)-3,3-dimethylpiperidin-4-amine
PubChem CID114267616
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-(1-ethylazepan-4-yl)-3,3-dimethylpiperidin-4-amine
SMILESCCN1CCCC(N2CCC(N)C(C)(C)C2)CC1
InChIInChI=1S/C15H31N3/c1-4-17-9-5-6-13(7-10-17)18-11-8-14(16)15(2,3)12-18/h13-14H,4-12,16H2,1-3H3
InChIKeySKKYKMBLYAHXTM-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylazepan-4-yl)-4-methylpiperidin-3-amine
CID 65077439
1-(1-ethylpiperidin-4-yl)piperidin-4-amine;hydrochloride
CID 68573290
8-(1-ethylazepan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 65077683
(3R)-1-ethyl-3-(4-piperidin-1-ylpiperidin-1-yl)piperidine
CID 39801895
1-(1-ethylpiperidin-3-yl)pyrrolidin-3-amine
CID 61479919
(4R)-1-cyclobutyl-3,3,4-trimethylpiperidine
CID 171846999
1-ethyl-4-(3-methylazetidin-1-yl)piperidine
CID 174247988
4-(2,2-dimethylpiperazin-1-yl)-1-ethylazepane
CID 65463327
(4R)-1-cyclobutyl-3,3,4-trimethylpiperidine;hydrate
CID 171846998
1-(1-cycloheptyl-3,3-dimethylpiperidin-4-yl)-N-methylmethanamine
CID 117025004
2-(1-ethylazepan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522276
3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 120776462

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylazepan-4-yl)-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(1-ethylazepan-4-yl)-3,3-dimethylpiperidin-4-amine (CID 114267616) is 1-(1-ethylazepan-4-yl)-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(1-ethylazepan-4-yl)-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(1-ethylazepan-4-yl)-3,3-dimethylpiperidin-4-amine is CCN1CCCC(N2CCC(N)C(C)(C)C2)CC1.
What is the InChIKey of 1-(1-ethylazepan-4-yl)-3,3-dimethylpiperidin-4-amine?
The InChIKey is SKKYKMBLYAHXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-4-17-9-5-6-13(7-10-17)18-11-8-14(16)15(2,3)12-18/h13-14H,4-12,16H2,1-3H3.
What are the key properties of 1-(1-ethylazepan-4-yl)-3,3-dimethylpiperidin-4-amine?
1-(1-ethylazepan-4-yl)-3,3-dimethylpiperidin-4-amine has a molecular weight of 253.43 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylazepan-4-yl)-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 114267616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).