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

C15H27Cl2NO — CID 107867048

IUPAC1-chloro-2-(chloromethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
SMILESCCC(CCl)(CCl)NCC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H27Cl2NO/c1-2-14(11-16,12-17)18-10-13-6-9-15(19-13)7-4-3-5-8-15/h13,18H,2-12H2,1H3
InChIKeyHTKGWTKFSTUSDI-UHFFFAOYSA-N
MW308.29 g/mol
LogP4.08
Rot. Bonds6

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

1-chloro-2-(chloromethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine (PubChem CID 107867048) has the molecular formula C15H27Cl2NO and a molecular weight of 308.29 g/mol. Its IUPAC name is 1-chloro-2-(chloromethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name1-chloro-2-(chloromethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
PubChem CID107867048
Molecular FormulaC15H27Cl2NO
Molecular Weight308.29 g/mol
Exact Mass307.15
IUPAC Name1-chloro-2-(chloromethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
SMILESCCC(CCl)(CCl)NCC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H27Cl2NO/c1-2-14(11-16,12-17)18-10-13-6-9-15(19-13)7-4-3-5-8-15/h13,18H,2-12H2,1H3
InChIKeyHTKGWTKFSTUSDI-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 54.08
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-ethyl-2-(1-oxaspiro[4.5]decan-2-ylmethylamino)propane-1,3-diol
CID 107865527
2-ethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propane-1,3-diol
CID 107865302
2-(chloromethyl)-2-ethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 106252571
2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
CID 102896742
2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propane-1,3-diol
CID 102897666
1-chloro-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
CID 102900844
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
2-(3-chloro-2,2-dimethylpropyl)-1-oxaspiro[4.5]decane
CID 102902077
1-chloro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine
CID 102900785
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102900973
1,1-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)hydrazine
CID 102897694
2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102900792

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(chloromethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine?
The IUPAC name of 1-chloro-2-(chloromethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine (CID 107867048) is 1-chloro-2-(chloromethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine.
What is the SMILES notation for 1-chloro-2-(chloromethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine?
The canonical SMILES for 1-chloro-2-(chloromethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine is CCC(CCl)(CCl)NCC1CCC2(CCCCC2)O1.
What is the InChIKey of 1-chloro-2-(chloromethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine?
The InChIKey is HTKGWTKFSTUSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27Cl2NO/c1-2-14(11-16,12-17)18-10-13-6-9-15(19-13)7-4-3-5-8-15/h13,18H,2-12H2,1H3.
What are the key properties of 1-chloro-2-(chloromethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine?
1-chloro-2-(chloromethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine has a molecular weight of 308.29 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(chloromethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 107867048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).