1-(2-dodecylphenyl)-N,N-dimethylmethanamine;hydroiodide

C21H38IN — CID 173329859

IUPAC1-(2-dodecylphenyl)-N,N-dimethylmethanamine;hydroiodide
SMILESCCCCCCCCCCCCc1ccccc1CN(C)C.I
InChIInChI=1S/C21H37N.HI/c1-4-5-6-7-8-9-10-11-12-13-16-20-17-14-15-18-21(20)19-22(2)3;/h14-15,17-18H,4-13,16,19H2,1-3H3;1H
InChIKeyCNDGBLVMUCNIIV-UHFFFAOYSA-N
MW431.45 g/mol
LogP6.83
Rot. Bonds13

About 1-(2-dodecylphenyl)-N,N-dimethylmethanamine;hydroiodide

1-(2-dodecylphenyl)-N,N-dimethylmethanamine;hydroiodide (PubChem CID 173329859) has the molecular formula C21H38IN and a molecular weight of 431.45 g/mol. Its IUPAC name is 1-(2-dodecylphenyl)-N,N-dimethylmethanamine;hydroiodide.

Molecular Properties

Compound Name1-(2-dodecylphenyl)-N,N-dimethylmethanamine;hydroiodide
PubChem CID173329859
Molecular FormulaC21H38IN
Molecular Weight431.45 g/mol
Exact Mass431.20
IUPAC Name1-(2-dodecylphenyl)-N,N-dimethylmethanamine;hydroiodide
SMILESCCCCCCCCCCCCc1ccccc1CN(C)C.I
InChIInChI=1S/C21H37N.HI/c1-4-5-6-7-8-9-10-11-12-13-16-20-17-14-15-18-21(20)19-22(2)3;/h14-15,17-18H,4-13,16,19H2,1-3H3;1H
InChIKeyCNDGBLVMUCNIIV-UHFFFAOYSA-N
XLogP6.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.45
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-(2-octadecylphenyl)methanamine
CID 19374198
N,N-dimethyl-1-(2-tetradecylphenyl)methanamine;hydrochloride
CID 175358884
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
N,N-dimethyl-1-(2-propylphenyl)methanamine
CID 12709346
1,2-dihexylbenzene;hydrate
CID 172833093
1-ethyl-2-henicosylbenzene
CID 141174443
2-heptyl-N,N-dimethylaniline
CID 69464807
1,2-didecylbenzene;phosphonous acid
CID 70526437

Frequently Asked Questions

What is the IUPAC name of 1-(2-dodecylphenyl)-N,N-dimethylmethanamine;hydroiodide?
The IUPAC name of 1-(2-dodecylphenyl)-N,N-dimethylmethanamine;hydroiodide (CID 173329859) is 1-(2-dodecylphenyl)-N,N-dimethylmethanamine;hydroiodide.
What is the SMILES notation for 1-(2-dodecylphenyl)-N,N-dimethylmethanamine;hydroiodide?
The canonical SMILES for 1-(2-dodecylphenyl)-N,N-dimethylmethanamine;hydroiodide is CCCCCCCCCCCCc1ccccc1CN(C)C.I.
What is the InChIKey of 1-(2-dodecylphenyl)-N,N-dimethylmethanamine;hydroiodide?
The InChIKey is CNDGBLVMUCNIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N.HI/c1-4-5-6-7-8-9-10-11-12-13-16-20-17-14-15-18-21(20)19-22(2)3;/h14-15,17-18H,4-13,16,19H2,1-3H3;1H.
What are the key properties of 1-(2-dodecylphenyl)-N,N-dimethylmethanamine;hydroiodide?
1-(2-dodecylphenyl)-N,N-dimethylmethanamine;hydroiodide has a molecular weight of 431.45 g/mol, XLogP of 6.83, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-dodecylphenyl)-N,N-dimethylmethanamine;hydroiodide is sourced from PubChem (CID 173329859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).