N,N-dimethyl-4-(trichloromethyl)dodecan-1-amine

C15H30Cl3N — CID 150712358

IUPACN,N-dimethyl-4-(trichloromethyl)dodecan-1-amine
SMILESCCCCCCCCC(CCCN(C)C)C(Cl)(Cl)Cl
InChIInChI=1S/C15H30Cl3N/c1-4-5-6-7-8-9-11-14(15(16,17)18)12-10-13-19(2)3/h14H,4-13H2,1-3H3
InChIKeyJODUMMUCILIOHV-UHFFFAOYSA-N
MW330.77 g/mol
LogP6.07
Rot. Bonds11

About N,N-dimethyl-4-(trichloromethyl)dodecan-1-amine

N,N-dimethyl-4-(trichloromethyl)dodecan-1-amine (PubChem CID 150712358) has the molecular formula C15H30Cl3N and a molecular weight of 330.77 g/mol. Its IUPAC name is N,N-dimethyl-4-(trichloromethyl)dodecan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(trichloromethyl)dodecan-1-amine
PubChem CID150712358
Molecular FormulaC15H30Cl3N
Molecular Weight330.77 g/mol
Exact Mass329.14
IUPAC NameN,N-dimethyl-4-(trichloromethyl)dodecan-1-amine
SMILESCCCCCCCCC(CCCN(C)C)C(Cl)(Cl)Cl
InChIInChI=1S/C15H30Cl3N/c1-4-5-6-7-8-9-11-14(15(16,17)18)12-10-13-19(2)3/h14H,4-13H2,1-3H3
InChIKeyJODUMMUCILIOHV-UHFFFAOYSA-N
XLogP6.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.77
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(trichloromethyl)undecane-1-thiol
CID 150544177
N,N-dimethyl-4-pentyldecan-1-amine
CID 154963901
N,N-dimethyloctan-1-amine
CID 161279104
N,N-dimethylnonadecan-1-amine
CID 546994
9-(2-chloropropan-2-yl)heptacosane
CID 151482832
9-(2-chloropropan-2-yl)heptadecane
CID 151028033
chloroethane;N,N-dimethylhexadecan-1-amine
CID 87849002
N,N-dimethylhexadecan-1-amine;hydrobromide
CID 71365203
borane;N,N-dimethylhexan-1-amine
CID 134905026
bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide
CID 175534819
N,N-dimethylpentacosan-1-amine;hydrobromide
CID 174802696
N,N-dimethyldecan-1-amine;ruthenium
CID 158300226

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(trichloromethyl)dodecan-1-amine?
The IUPAC name of N,N-dimethyl-4-(trichloromethyl)dodecan-1-amine (CID 150712358) is N,N-dimethyl-4-(trichloromethyl)dodecan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-(trichloromethyl)dodecan-1-amine?
The canonical SMILES for N,N-dimethyl-4-(trichloromethyl)dodecan-1-amine is CCCCCCCCC(CCCN(C)C)C(Cl)(Cl)Cl.
What is the InChIKey of N,N-dimethyl-4-(trichloromethyl)dodecan-1-amine?
The InChIKey is JODUMMUCILIOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30Cl3N/c1-4-5-6-7-8-9-11-14(15(16,17)18)12-10-13-19(2)3/h14H,4-13H2,1-3H3.
What are the key properties of N,N-dimethyl-4-(trichloromethyl)dodecan-1-amine?
N,N-dimethyl-4-(trichloromethyl)dodecan-1-amine has a molecular weight of 330.77 g/mol, XLogP of 6.07, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(trichloromethyl)dodecan-1-amine is sourced from PubChem (CID 150712358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).