N-[3-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-2-amine

C14H30N2 — CID 60851535

IUPACN-[3-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-2-amine
SMILESCCC1CCCN(CCCNC(C)(C)C)C1
InChIInChI=1S/C14H30N2/c1-5-13-8-6-10-16(12-13)11-7-9-15-14(2,3)4/h13,15H,5-12H2,1-4H3
InChIKeyXCIIECHGISWICX-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds5

About N-[3-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-2-amine

N-[3-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-2-amine (PubChem CID 60851535) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-[3-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-2-amine
PubChem CID60851535
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-[3-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-2-amine
SMILESCCC1CCCN(CCCNC(C)(C)C)C1
InChIInChI=1S/C14H30N2/c1-5-13-8-6-10-16(12-13)11-7-9-15-14(2,3)4/h13,15H,5-12H2,1-4H3
InChIKeyXCIIECHGISWICX-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-ethylpiperidin-1-yl)propyl]cyclopropanamine
CID 60867302
N-[3-(3-ethoxypiperidin-1-yl)propyl]-2-methylpropan-2-amine
CID 55071185
N-[(1-hexylpiperidin-3-yl)methyl]-2-methylpropan-2-amine
CID 62593600
N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-2-amine
CID 64568140
N-[2-(3-ethylpiperidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 62561731
3-ethyl-1-heptylpiperidine
CID 171569576
6-(3-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64795564
N-[2-(3-ethylpiperidin-1-yl)ethyl]butan-1-amine
CID 62560238
N-[[1-(2-butoxyethyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 55220646
N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-2-amine
CID 63609125
1-[3-(tert-butylamino)propyl]-3-methylpiperidin-4-ol
CID 114681079
3-(3-ethylpiperidin-1-yl)propane-1-sulfonamide
CID 115608712

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-2-amine (CID 60851535) is N-[3-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-2-amine is CCC1CCCN(CCCNC(C)(C)C)C1.
What is the InChIKey of N-[3-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-2-amine?
The InChIKey is XCIIECHGISWICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-13-8-6-10-16(12-13)11-7-9-15-14(2,3)4/h13,15H,5-12H2,1-4H3.
What are the key properties of N-[3-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-2-amine?
N-[3-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-2-amine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 60851535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).