2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine

C13H24ClNO — CID 102900792

IUPAC2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
SMILESCC(Cl)CNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C13H24ClNO/c1-11(14)9-15-10-12-5-8-13(16-12)6-3-2-4-7-13/h11-12,15H,2-10H2,1H3
InChIKeyONHKKVPFQWZLTI-UHFFFAOYSA-N
MW245.79 g/mol
LogP3.09
Rot. Bonds4

About 2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine

2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine (PubChem CID 102900792) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is 2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
PubChem CID102900792
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC Name2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
SMILESCC(Cl)CNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C13H24ClNO/c1-11(14)9-15-10-12-5-8-13(16-12)6-3-2-4-7-13/h11-12,15H,2-10H2,1H3
InChIKeyONHKKVPFQWZLTI-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,3-trimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102897716
methyl 2-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanoate
CID 103491800
4-chloro-2-ethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102900846
2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)-N-propan-2-ylacetamide
CID 102896860
1-chloro-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
CID 102900844
2-(2-methylpropoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897891
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
CID 102896955
1-(1-oxaspiro[4.4]nonan-2-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
CID 102897479
2-(3-chloro-2-methylbutyl)-1-oxaspiro[4.5]decane
CID 102899907
(1S)-1-cyclohexyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897605
1-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine
CID 107859550

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine (CID 102900792) is 2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine is CC(Cl)CNCC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine?
The InChIKey is ONHKKVPFQWZLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c1-11(14)9-15-10-12-5-8-13(16-12)6-3-2-4-7-13/h11-12,15H,2-10H2,1H3.
What are the key properties of 2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine?
2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine has a molecular weight of 245.79 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 102900792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).