N-[2-(2-methylpyrazol-3-yl)ethyl]spiro[4.5]decan-8-amine

C16H27N3 — CID 103005227

IUPACN-[2-(2-methylpyrazol-3-yl)ethyl]spiro[4.5]decan-8-amine
SMILESCn1nccc1CCNC1CCC2(CCCC2)CC1
InChIInChI=1S/C16H27N3/c1-19-15(7-13-18-19)6-12-17-14-4-10-16(11-5-14)8-2-3-9-16/h7,13-14,17H,2-6,8-12H2,1H3
InChIKeyWNSPAKIIQOAZRS-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.06
Rot. Bonds4

About N-[2-(2-methylpyrazol-3-yl)ethyl]spiro[4.5]decan-8-amine

N-[2-(2-methylpyrazol-3-yl)ethyl]spiro[4.5]decan-8-amine (PubChem CID 103005227) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[2-(2-methylpyrazol-3-yl)ethyl]spiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[2-(2-methylpyrazol-3-yl)ethyl]spiro[4.5]decan-8-amine
PubChem CID103005227
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[2-(2-methylpyrazol-3-yl)ethyl]spiro[4.5]decan-8-amine
SMILESCn1nccc1CCNC1CCC2(CCCC2)CC1
InChIInChI=1S/C16H27N3/c1-19-15(7-13-18-19)6-12-17-14-4-10-16(11-5-14)8-2-3-9-16/h7,13-14,17H,2-6,8-12H2,1H3
InChIKeyWNSPAKIIQOAZRS-UHFFFAOYSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]spiro[4.5]decan-8-amine?
The IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]spiro[4.5]decan-8-amine (CID 103005227) is N-[2-(2-methylpyrazol-3-yl)ethyl]spiro[4.5]decan-8-amine.
What is the SMILES notation for N-[2-(2-methylpyrazol-3-yl)ethyl]spiro[4.5]decan-8-amine?
The canonical SMILES for N-[2-(2-methylpyrazol-3-yl)ethyl]spiro[4.5]decan-8-amine is Cn1nccc1CCNC1CCC2(CCCC2)CC1.
What is the InChIKey of N-[2-(2-methylpyrazol-3-yl)ethyl]spiro[4.5]decan-8-amine?
The InChIKey is WNSPAKIIQOAZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-19-15(7-13-18-19)6-12-17-14-4-10-16(11-5-14)8-2-3-9-16/h7,13-14,17H,2-6,8-12H2,1H3.
What are the key properties of N-[2-(2-methylpyrazol-3-yl)ethyl]spiro[4.5]decan-8-amine?
N-[2-(2-methylpyrazol-3-yl)ethyl]spiro[4.5]decan-8-amine has a molecular weight of 261.41 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrazol-3-yl)ethyl]spiro[4.5]decan-8-amine is sourced from PubChem (CID 103005227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).