2-bromo-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine

C14H26BrNO — CID 102637319

IUPAC2-bromo-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine
SMILESCN(CC1CCC(C)(C)O1)C1CCCCC1Br
InChIInChI=1S/C14H26BrNO/c1-14(2)9-8-11(17-14)10-16(3)13-7-5-4-6-12(13)15/h11-13H,4-10H2,1-3H3
InChIKeyAWJVBDPWVZFOEB-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.58
Rot. Bonds3

About 2-bromo-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine

2-bromo-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 102637319) has the molecular formula C14H26BrNO and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-bromo-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-bromo-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine
PubChem CID102637319
Molecular FormulaC14H26BrNO
Molecular Weight304.27 g/mol
Exact Mass303.12
IUPAC Name2-bromo-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine
SMILESCN(CC1CCC(C)(C)O1)C1CCCCC1Br
InChIInChI=1S/C14H26BrNO/c1-14(2)9-8-11(17-14)10-16(3)13-7-5-4-6-12(13)15/h11-13H,4-10H2,1-3H3
InChIKeyAWJVBDPWVZFOEB-UHFFFAOYSA-N
XLogP3.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Bromoethyl)-N-[(oxolan-2-yl)methyl]cyclohexanamine
CID 80672552
2-bromo-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 102637180
2-(Bromomethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidine
CID 102785451
N-(3-bromopropyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine
CID 102860112
N-(2-bromoethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine
CID 102860877
N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine
CID 102900850
2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102900852
3-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 102900881
1-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine
CID 102900921
3-bromo-N-ethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102900927
2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine
CID 102900982
2-(Bromomethyl)-4-[(5,5-dimethyloxolan-2-yl)methyl]-6-methylmorpholine
CID 102936830

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-bromo-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine (CID 102637319) is 2-bromo-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-bromo-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-bromo-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine is CN(CC1CCC(C)(C)O1)C1CCCCC1Br.
What is the InChIKey of 2-bromo-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is AWJVBDPWVZFOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO/c1-14(2)9-8-11(17-14)10-16(3)13-7-5-4-6-12(13)15/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-bromo-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine?
2-bromo-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 304.27 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 102637319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).