1-(1-methylpiperidin-4-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

C16H32N2 — CID 79351441

IUPAC1-(1-methylpiperidin-4-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCC(NCC1C(C)(C)C1(C)C)C1CCN(C)CC1
InChIInChI=1S/C16H32N2/c1-12(13-7-9-18(6)10-8-13)17-11-14-15(2,3)16(14,4)5/h12-14,17H,7-11H2,1-6H3
InChIKeySJKCEDTVEAKYAA-UHFFFAOYSA-N
MW252.45 g/mol
LogP2.99
Rot. Bonds4

About 1-(1-methylpiperidin-4-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

1-(1-methylpiperidin-4-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (PubChem CID 79351441) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
PubChem CID79351441
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-(1-methylpiperidin-4-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCC(NCC1C(C)(C)C1(C)C)C1CCN(C)CC1
InChIInChI=1S/C16H32N2/c1-12(13-7-9-18(6)10-8-13)17-11-14-15(2,3)16(14,4)5/h12-14,17H,7-11H2,1-6H3
InChIKeySJKCEDTVEAKYAA-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (CID 79351441) is 1-(1-methylpiperidin-4-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is CC(NCC1C(C)(C)C1(C)C)C1CCN(C)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The InChIKey is SJKCEDTVEAKYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-12(13-7-9-18(6)10-8-13)17-11-14-15(2,3)16(14,4)5/h12-14,17H,7-11H2,1-6H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
1-(1-methylpiperidin-4-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine has a molecular weight of 252.45 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 79351441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).