N-[(1-spiro[4.5]decan-8-ylpiperidin-4-yl)methyl]ethanamine

C18H34N2 — CID 114818937

IUPACN-[(1-spiro[4.5]decan-8-ylpiperidin-4-yl)methyl]ethanamine
SMILESCCNCC1CCN(C2CCC3(CCCC3)CC2)CC1
InChIInChI=1S/C18H34N2/c1-2-19-15-16-7-13-20(14-8-16)17-5-11-18(12-6-17)9-3-4-10-18/h16-17,19H,2-15H2,1H3
InChIKeySWWJIZLSWCBPPD-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.81
Rot. Bonds4

About N-[(1-spiro[4.5]decan-8-ylpiperidin-4-yl)methyl]ethanamine

N-[(1-spiro[4.5]decan-8-ylpiperidin-4-yl)methyl]ethanamine (PubChem CID 114818937) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is N-[(1-spiro[4.5]decan-8-ylpiperidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-spiro[4.5]decan-8-ylpiperidin-4-yl)methyl]ethanamine
PubChem CID114818937
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC NameN-[(1-spiro[4.5]decan-8-ylpiperidin-4-yl)methyl]ethanamine
SMILESCCNCC1CCN(C2CCC3(CCCC3)CC2)CC1
InChIInChI=1S/C18H34N2/c1-2-19-15-16-7-13-20(14-8-16)17-5-11-18(12-6-17)9-3-4-10-18/h16-17,19H,2-15H2,1H3
InChIKeySWWJIZLSWCBPPD-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-spiro[4.5]decan-8-ylpiperidin-4-yl)methyl]ethanamine?
The IUPAC name of N-[(1-spiro[4.5]decan-8-ylpiperidin-4-yl)methyl]ethanamine (CID 114818937) is N-[(1-spiro[4.5]decan-8-ylpiperidin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-spiro[4.5]decan-8-ylpiperidin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-spiro[4.5]decan-8-ylpiperidin-4-yl)methyl]ethanamine is CCNCC1CCN(C2CCC3(CCCC3)CC2)CC1.
What is the InChIKey of N-[(1-spiro[4.5]decan-8-ylpiperidin-4-yl)methyl]ethanamine?
The InChIKey is SWWJIZLSWCBPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-2-19-15-16-7-13-20(14-8-16)17-5-11-18(12-6-17)9-3-4-10-18/h16-17,19H,2-15H2,1H3.
What are the key properties of N-[(1-spiro[4.5]decan-8-ylpiperidin-4-yl)methyl]ethanamine?
N-[(1-spiro[4.5]decan-8-ylpiperidin-4-yl)methyl]ethanamine has a molecular weight of 278.48 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-spiro[4.5]decan-8-ylpiperidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 114818937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).