N-[(2-chlorophenyl)methyl]spiro[4.5]decan-8-amine

C17H24ClN — CID 114817057

IUPACN-[(2-chlorophenyl)methyl]spiro[4.5]decan-8-amine
SMILESClc1ccccc1CNC1CCC2(CCCC2)CC1
InChIInChI=1S/C17H24ClN/c18-16-6-2-1-5-14(16)13-19-15-7-11-17(12-8-15)9-3-4-10-17/h1-2,5-6,15,19H,3-4,7-13H2
InChIKeyDFVLXTIHCGSSDU-UHFFFAOYSA-N
MW277.84 g/mol
LogP4.93
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]spiro[4.5]decan-8-amine

N-[(2-chlorophenyl)methyl]spiro[4.5]decan-8-amine (PubChem CID 114817057) has the molecular formula C17H24ClN and a molecular weight of 277.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]spiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]spiro[4.5]decan-8-amine
PubChem CID114817057
Molecular FormulaC17H24ClN
Molecular Weight277.84 g/mol
Exact Mass277.16
IUPAC NameN-[(2-chlorophenyl)methyl]spiro[4.5]decan-8-amine
SMILESClc1ccccc1CNC1CCC2(CCCC2)CC1
InChIInChI=1S/C17H24ClN/c18-16-6-2-1-5-14(16)13-19-15-7-11-17(12-8-15)9-3-4-10-17/h1-2,5-6,15,19H,3-4,7-13H2
InChIKeyDFVLXTIHCGSSDU-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]spiro[4.5]decan-8-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]spiro[4.5]decan-8-amine (CID 114817057) is N-[(2-chlorophenyl)methyl]spiro[4.5]decan-8-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]spiro[4.5]decan-8-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]spiro[4.5]decan-8-amine is Clc1ccccc1CNC1CCC2(CCCC2)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]spiro[4.5]decan-8-amine?
The InChIKey is DFVLXTIHCGSSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN/c18-16-6-2-1-5-14(16)13-19-15-7-11-17(12-8-15)9-3-4-10-17/h1-2,5-6,15,19H,3-4,7-13H2.
What are the key properties of N-[(2-chlorophenyl)methyl]spiro[4.5]decan-8-amine?
N-[(2-chlorophenyl)methyl]spiro[4.5]decan-8-amine has a molecular weight of 277.84 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]spiro[4.5]decan-8-amine is sourced from PubChem (CID 114817057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).