1-chloro-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine

C15H28ClNO — CID 102900844

IUPAC1-chloro-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
SMILESCC(C)C(CCl)NCC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H28ClNO/c1-12(2)14(10-16)17-11-13-6-9-15(18-13)7-4-3-5-8-15/h12-14,17H,3-11H2,1-2H3
InChIKeyBTWOYMFOPLFKDP-UHFFFAOYSA-N
MW273.85 g/mol
LogP3.72
Rot. Bonds5

About 1-chloro-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine

1-chloro-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine (PubChem CID 102900844) has the molecular formula C15H28ClNO and a molecular weight of 273.85 g/mol. Its IUPAC name is 1-chloro-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name1-chloro-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
PubChem CID102900844
Molecular FormulaC15H28ClNO
Molecular Weight273.85 g/mol
Exact Mass273.19
IUPAC Name1-chloro-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
SMILESCC(C)C(CCl)NCC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H28ClNO/c1-12(2)14(10-16)17-11-13-6-9-15(18-13)7-4-3-5-8-15/h12-14,17H,3-11H2,1-2H3
InChIKeyBTWOYMFOPLFKDP-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.85
LogP ≤ 53.72
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

1-bromo-3-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine
CID 107859043
1-chloro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine
CID 102900785
1-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine
CID 107859550
(1S)-1-cyclohexyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897605
2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102900792
4-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-2-amine
CID 102896817
1-cyclopropyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
CID 102897316
1-N,1-N-diethyl-2-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine
CID 102897158
1-chloro-2-(chloromethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
CID 107867048
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pent-4-en-2-amine
CID 102897813
2,3,3-trimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102897716
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine?
The IUPAC name of 1-chloro-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine (CID 102900844) is 1-chloro-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine.
What is the SMILES notation for 1-chloro-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine?
The canonical SMILES for 1-chloro-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine is CC(C)C(CCl)NCC1CCC2(CCCCC2)O1.
What is the InChIKey of 1-chloro-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine?
The InChIKey is BTWOYMFOPLFKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClNO/c1-12(2)14(10-16)17-11-13-6-9-15(18-13)7-4-3-5-8-15/h12-14,17H,3-11H2,1-2H3.
What are the key properties of 1-chloro-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine?
1-chloro-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine has a molecular weight of 273.85 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 102900844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).