2-chloro-1-(7-propan-2-yl-1-azaspiro[4.5]decan-1-yl)ethanone

C14H24ClNO — CID 169182611

IUPAC2-chloro-1-(7-propan-2-yl-1-azaspiro[4.5]decan-1-yl)ethanone
SMILESCC(C)C1CCCC2(CCCN2C(=O)CCl)C1
InChIInChI=1S/C14H24ClNO/c1-11(2)12-5-3-6-14(9-12)7-4-8-16(14)13(17)10-15/h11-12H,3-10H2,1-2H3
InChIKeyZDUGTVFAYVTIJL-UHFFFAOYSA-N
MW257.80 g/mol
LogP3.43
Rot. Bonds2

About 2-chloro-1-(7-propan-2-yl-1-azaspiro[4.5]decan-1-yl)ethanone

2-chloro-1-(7-propan-2-yl-1-azaspiro[4.5]decan-1-yl)ethanone (PubChem CID 169182611) has the molecular formula C14H24ClNO and a molecular weight of 257.80 g/mol. Its IUPAC name is 2-chloro-1-(7-propan-2-yl-1-azaspiro[4.5]decan-1-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(7-propan-2-yl-1-azaspiro[4.5]decan-1-yl)ethanone
PubChem CID169182611
Molecular FormulaC14H24ClNO
Molecular Weight257.80 g/mol
Exact Mass257.15
IUPAC Name2-chloro-1-(7-propan-2-yl-1-azaspiro[4.5]decan-1-yl)ethanone
SMILESCC(C)C1CCCC2(CCCN2C(=O)CCl)C1
InChIInChI=1S/C14H24ClNO/c1-11(2)12-5-3-6-14(9-12)7-4-8-16(14)13(17)10-15/h11-12H,3-10H2,1-2H3
InChIKeyZDUGTVFAYVTIJL-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.80
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 129088275
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CID 167746989
2-chloro-1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]ethanone
CID 129497014
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5-cyclopropyl-2-propan-2-yl-5-azaspiro[3.5]nonane
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cis-(1R,3R)-1-methyl-3-propan-2-ylcyclohexan-1-amine
CID 124680458
2-(1-aminocyclohexyl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103495472
(8S)-5-iodo-8-propan-2-yl-5-azaspiro[3.6]decane
CID 145095351
1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxamide
CID 107449317
1-[2-(diethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 107449379
1-(4-chloroanilino)-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 107449394
2-amino-1-(4-azaspiro[2.4]heptan-4-yl)ethanone
CID 154535282

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(7-propan-2-yl-1-azaspiro[4.5]decan-1-yl)ethanone?
The IUPAC name of 2-chloro-1-(7-propan-2-yl-1-azaspiro[4.5]decan-1-yl)ethanone (CID 169182611) is 2-chloro-1-(7-propan-2-yl-1-azaspiro[4.5]decan-1-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(7-propan-2-yl-1-azaspiro[4.5]decan-1-yl)ethanone?
The canonical SMILES for 2-chloro-1-(7-propan-2-yl-1-azaspiro[4.5]decan-1-yl)ethanone is CC(C)C1CCCC2(CCCN2C(=O)CCl)C1.
What is the InChIKey of 2-chloro-1-(7-propan-2-yl-1-azaspiro[4.5]decan-1-yl)ethanone?
The InChIKey is ZDUGTVFAYVTIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO/c1-11(2)12-5-3-6-14(9-12)7-4-8-16(14)13(17)10-15/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-chloro-1-(7-propan-2-yl-1-azaspiro[4.5]decan-1-yl)ethanone?
2-chloro-1-(7-propan-2-yl-1-azaspiro[4.5]decan-1-yl)ethanone has a molecular weight of 257.80 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(7-propan-2-yl-1-azaspiro[4.5]decan-1-yl)ethanone is sourced from PubChem (CID 169182611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).