N-(1-bromopropan-2-yl)-N-methyldodecan-1-amine

C16H34BrN — CID 104554825

IUPACN-(1-bromopropan-2-yl)-N-methyldodecan-1-amine
SMILESCCCCCCCCCCCCN(C)C(C)CBr
InChIInChI=1S/C16H34BrN/c1-4-5-6-7-8-9-10-11-12-13-14-18(3)16(2)15-17/h16H,4-15H2,1-3H3
InChIKeyYUYKWHVMYWTGHA-UHFFFAOYSA-N
MW320.36 g/mol
LogP5.62
Rot. Bonds13

About N-(1-bromopropan-2-yl)-N-methyldodecan-1-amine

N-(1-bromopropan-2-yl)-N-methyldodecan-1-amine (PubChem CID 104554825) has the molecular formula C16H34BrN and a molecular weight of 320.36 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-N-methyldodecan-1-amine.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-N-methyldodecan-1-amine
PubChem CID104554825
Molecular FormulaC16H34BrN
Molecular Weight320.36 g/mol
Exact Mass319.19
IUPAC NameN-(1-bromopropan-2-yl)-N-methyldodecan-1-amine
SMILESCCCCCCCCCCCCN(C)C(C)CBr
InChIInChI=1S/C16H34BrN/c1-4-5-6-7-8-9-10-11-12-13-14-18(3)16(2)15-17/h16H,4-15H2,1-3H3
InChIKeyYUYKWHVMYWTGHA-UHFFFAOYSA-N
XLogP5.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.36
LogP ≤ 55.62
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

N-(1-bromopropan-2-yl)-N-methylheptan-1-amine
CID 104554827
ethane;N-methyl-N-propan-2-yldodecan-1-amine
CID 142585410
N-dodecyl-N-methyltridecan-2-amine
CID 87784054
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
2-N-dodecyl-2-N-methylpropane-1,2-diamine
CID 104556816
1-[dodecyl(methyl)amino]propane-1,2-diol
CID 129203951
3-[dodecyl(methyl)amino]butanenitrile
CID 63517586
1-[dodecyl(methyl)amino]ethyl-trimethylazanium
CID 141440762
3-[decyl(methyl)amino]butanethioamide
CID 63512531
3-[hexyl(methyl)amino]butanethioamide
CID 63223651
1-bromo-N-methyl-N-(3-methylsulfonylpropyl)propan-2-amine
CID 104554983
N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine
CID 154294870

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-N-methyldodecan-1-amine?
The IUPAC name of N-(1-bromopropan-2-yl)-N-methyldodecan-1-amine (CID 104554825) is N-(1-bromopropan-2-yl)-N-methyldodecan-1-amine.
What is the SMILES notation for N-(1-bromopropan-2-yl)-N-methyldodecan-1-amine?
The canonical SMILES for N-(1-bromopropan-2-yl)-N-methyldodecan-1-amine is CCCCCCCCCCCCN(C)C(C)CBr.
What is the InChIKey of N-(1-bromopropan-2-yl)-N-methyldodecan-1-amine?
The InChIKey is YUYKWHVMYWTGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34BrN/c1-4-5-6-7-8-9-10-11-12-13-14-18(3)16(2)15-17/h16H,4-15H2,1-3H3.
What are the key properties of N-(1-bromopropan-2-yl)-N-methyldodecan-1-amine?
N-(1-bromopropan-2-yl)-N-methyldodecan-1-amine has a molecular weight of 320.36 g/mol, XLogP of 5.62, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-N-methyldodecan-1-amine is sourced from PubChem (CID 104554825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).