N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(3-methoxypropoxy)ethanamine

C14H28ClNO2 — CID 103183994

IUPACN-[[2-(chloromethyl)cyclohexyl]methyl]-2-(3-methoxypropoxy)ethanamine
SMILESCOCCCOCCNCC1CCCCC1CCl
InChIInChI=1S/C14H28ClNO2/c1-17-8-4-9-18-10-7-16-12-14-6-3-2-5-13(14)11-15/h13-14,16H,2-12H2,1H3
InChIKeyHNLJGEAGNSQHMU-UHFFFAOYSA-N
MW277.84 g/mol
LogP2.67
Rot. Bonds10

About N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(3-methoxypropoxy)ethanamine

N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(3-methoxypropoxy)ethanamine (PubChem CID 103183994) has the molecular formula C14H28ClNO2 and a molecular weight of 277.84 g/mol. Its IUPAC name is N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(3-methoxypropoxy)ethanamine.

Molecular Properties

Compound NameN-[[2-(chloromethyl)cyclohexyl]methyl]-2-(3-methoxypropoxy)ethanamine
PubChem CID103183994
Molecular FormulaC14H28ClNO2
Molecular Weight277.84 g/mol
Exact Mass277.18
IUPAC NameN-[[2-(chloromethyl)cyclohexyl]methyl]-2-(3-methoxypropoxy)ethanamine
SMILESCOCCCOCCNCC1CCCCC1CCl
InChIInChI=1S/C14H28ClNO2/c1-17-8-4-9-18-10-7-16-12-14-6-3-2-5-13(14)11-15/h13-14,16H,2-12H2,1H3
InChIKeyHNLJGEAGNSQHMU-UHFFFAOYSA-N
XLogP2.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-amine
CID 106365344
N-[(2-chlorocyclopentyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 103413070
3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
CID 106306027
3-methoxy-N-[(2-methylcyclopentyl)methyl]propan-1-amine
CID 107417904
2-(chloromethyl)-N-(3-methoxypropyl)cyclopentan-1-amine
CID 106364907
2-(3-methoxypropoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 103178617
N-[[2-[3-(2-methoxyethoxy)propyl]cycloheptyl]methyl]ethanamine
CID 103415943
N-(cyclohexylmethyl)-3-methoxypropan-1-amine
CID 17207140
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 107913747
[2-[(2-propoxyethylamino)methyl]cyclopentyl]methanol
CID 106452162
N-(1,4-dioxan-2-ylmethyl)-2-(3-methoxypropoxy)ethanamine
CID 103178682
N-[2-(cyclopentylmethoxy)ethyl]-3-methoxypropan-1-amine
CID 66322077

Frequently Asked Questions

What is the IUPAC name of N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(3-methoxypropoxy)ethanamine?
The IUPAC name of N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(3-methoxypropoxy)ethanamine (CID 103183994) is N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(3-methoxypropoxy)ethanamine.
What is the SMILES notation for N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(3-methoxypropoxy)ethanamine?
The canonical SMILES for N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(3-methoxypropoxy)ethanamine is COCCCOCCNCC1CCCCC1CCl.
What is the InChIKey of N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(3-methoxypropoxy)ethanamine?
The InChIKey is HNLJGEAGNSQHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28ClNO2/c1-17-8-4-9-18-10-7-16-12-14-6-3-2-5-13(14)11-15/h13-14,16H,2-12H2,1H3.
What are the key properties of N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(3-methoxypropoxy)ethanamine?
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(3-methoxypropoxy)ethanamine has a molecular weight of 277.84 g/mol, XLogP of 2.67, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(3-methoxypropoxy)ethanamine is sourced from PubChem (CID 103183994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).