6-(3-chloro-2-methylprop-2-enyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane

C14H25ClN2 — CID 106440389

IUPAC6-(3-chloro-2-methylprop-2-enyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane
SMILESCC(=CCl)CN1CC(C)(C)NCC12CCCC2
InChIInChI=1S/C14H25ClN2/c1-12(8-15)9-17-11-13(2,3)16-10-14(17)6-4-5-7-14/h8,16H,4-7,9-11H2,1-3H3
InChIKeyBDJLXZYFXIWKBQ-UHFFFAOYSA-N
MW256.82 g/mol
LogP3.13
Rot. Bonds2

About 6-(3-chloro-2-methylprop-2-enyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane

6-(3-chloro-2-methylprop-2-enyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane (PubChem CID 106440389) has the molecular formula C14H25ClN2 and a molecular weight of 256.82 g/mol. Its IUPAC name is 6-(3-chloro-2-methylprop-2-enyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6-(3-chloro-2-methylprop-2-enyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane
PubChem CID106440389
Molecular FormulaC14H25ClN2
Molecular Weight256.82 g/mol
Exact Mass256.17
IUPAC Name6-(3-chloro-2-methylprop-2-enyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane
SMILESCC(=CCl)CN1CC(C)(C)NCC12CCCC2
InChIInChI=1S/C14H25ClN2/c1-12(8-15)9-17-11-13(2,3)16-10-14(17)6-4-5-7-14/h8,16H,4-7,9-11H2,1-3H3
InChIKeyBDJLXZYFXIWKBQ-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.82
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazaspiro[5.5]undecane
CID 107901521
8,8-dimethyl-6-propyl-6,9-diazaspiro[4.5]decane
CID 64840920
6-(2-ethylbutyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane
CID 82923848
8,8-dimethyl-6-(3-methylbutyl)-6,9-diazaspiro[4.5]decane
CID 64842470
3,3-dimethyl-1-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane
CID 83168130
3,3-dimethyl-1-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane
CID 106458595
3,3-dimethyl-1-(2-propan-2-yloxyethyl)-1,4-diazaspiro[5.5]undecane
CID 64841115
5-[(3,3-dimethyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole
CID 112644875
8,8-dimethyl-6-(2-pyrazol-1-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64843633
3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-1,4-diazaspiro[5.5]undecane
CID 106458594
8-cyclopropyl-8-methyl-6-(3-methylbut-2-enyl)-6,9-diazaspiro[4.5]decane
CID 107901791
3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 107055594

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-methylprop-2-enyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 6-(3-chloro-2-methylprop-2-enyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane (CID 106440389) is 6-(3-chloro-2-methylprop-2-enyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6-(3-chloro-2-methylprop-2-enyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 6-(3-chloro-2-methylprop-2-enyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane is CC(=CCl)CN1CC(C)(C)NCC12CCCC2.
What is the InChIKey of 6-(3-chloro-2-methylprop-2-enyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane?
The InChIKey is BDJLXZYFXIWKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN2/c1-12(8-15)9-17-11-13(2,3)16-10-14(17)6-4-5-7-14/h8,16H,4-7,9-11H2,1-3H3.
What are the key properties of 6-(3-chloro-2-methylprop-2-enyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane?
6-(3-chloro-2-methylprop-2-enyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane has a molecular weight of 256.82 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-methylprop-2-enyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 106440389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).