chloromethane;5,5,7,7-tetramethyloct-2-en-1-amine

C13H28ClN — CID 174821902

IUPACchloromethane;5,5,7,7-tetramethyloct-2-en-1-amine
SMILESCC(C)(C)CC(C)(C)CC=CCN.CCl
InChIInChI=1S/C12H25N.CH3Cl/c1-11(2,3)10-12(4,5)8-6-7-9-13;1-2/h6-7H,8-10,13H2,1-5H3;1H3
InChIKeyDOKSZFHWUPPANI-UHFFFAOYSA-N
MW233.83 g/mol
LogP4.21
Rot. Bonds4

About chloromethane;5,5,7,7-tetramethyloct-2-en-1-amine

chloromethane;5,5,7,7-tetramethyloct-2-en-1-amine (PubChem CID 174821902) has the molecular formula C13H28ClN and a molecular weight of 233.83 g/mol. Its IUPAC name is chloromethane;5,5,7,7-tetramethyloct-2-en-1-amine.

Molecular Properties

Compound Namechloromethane;5,5,7,7-tetramethyloct-2-en-1-amine
PubChem CID174821902
Molecular FormulaC13H28ClN
Molecular Weight233.83 g/mol
Exact Mass233.19
IUPAC Namechloromethane;5,5,7,7-tetramethyloct-2-en-1-amine
SMILESCC(C)(C)CC(C)(C)CC=CCN.CCl
InChIInChI=1S/C12H25N.CH3Cl/c1-11(2,3)10-12(4,5)8-6-7-9-13;1-2/h6-7H,8-10,13H2,1-5H3;1H3
InChIKeyDOKSZFHWUPPANI-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.83
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-5,5,7,7-tetramethyloct-2-en-1-amine
CID 75079311
1-bromo-5,5,7,7-tetramethyloct-2-ene;methane;methanediamine;N'-(5,5,7,7-tetramethyloct-2-enyl)methanediamine
CID 161199994
2,2,4,4,6,6-hexamethylheptane
CID 2795065
tributyl-[(E)-5,5,7,7-tetramethyloct-2-enyl]phosphanium chloride
CID 21245666
(E)-5-chloro-2,2-dimethylpent-4-en-1-amine
CID 130514629
(E,2R)-2,6-diamino-2-methylhex-4-enoic acid;methane
CID 159405333
2,2,4,4,6,6-hexamethylheptane;molecular hydrogen
CID 167544338
(Z)-2,2,7,7-tetramethyloct-4-ene-1,8-diol
CID 102143435
4-(3,3-dimethylbutoxy)but-2-en-1-amine
CID 77135452
dimethyl(2,2,4,4-tetramethylpentyl)phosphane
CID 134477410
2,2,4,4,6,6,7,7,9,9,11,11-dodecamethyldodecane
CID 158947018
hepta-2,5-diene-1,7-diamine
CID 56638039

Frequently Asked Questions

What is the IUPAC name of chloromethane;5,5,7,7-tetramethyloct-2-en-1-amine?
The IUPAC name of chloromethane;5,5,7,7-tetramethyloct-2-en-1-amine (CID 174821902) is chloromethane;5,5,7,7-tetramethyloct-2-en-1-amine.
What is the SMILES notation for chloromethane;5,5,7,7-tetramethyloct-2-en-1-amine?
The canonical SMILES for chloromethane;5,5,7,7-tetramethyloct-2-en-1-amine is CC(C)(C)CC(C)(C)CC=CCN.CCl.
What is the InChIKey of chloromethane;5,5,7,7-tetramethyloct-2-en-1-amine?
The InChIKey is DOKSZFHWUPPANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.CH3Cl/c1-11(2,3)10-12(4,5)8-6-7-9-13;1-2/h6-7H,8-10,13H2,1-5H3;1H3.
What are the key properties of chloromethane;5,5,7,7-tetramethyloct-2-en-1-amine?
chloromethane;5,5,7,7-tetramethyloct-2-en-1-amine has a molecular weight of 233.83 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;5,5,7,7-tetramethyloct-2-en-1-amine is sourced from PubChem (CID 174821902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).