1-(chloromethyl)-N-[3-(2-methoxyethoxy)propyl]-3-methylcyclohexan-1-amine

C14H28ClNO2 — CID 103413064

IUPAC1-(chloromethyl)-N-[3-(2-methoxyethoxy)propyl]-3-methylcyclohexan-1-amine
SMILESCOCCOCCCNC1(CCl)CCCC(C)C1
InChIInChI=1S/C14H28ClNO2/c1-13-5-3-6-14(11-13,12-15)16-7-4-8-18-10-9-17-2/h13,16H,3-12H2,1-2H3
InChIKeySERLLWLMOLKIBF-UHFFFAOYSA-N
MW277.84 g/mol
LogP2.82
Rot. Bonds9

About 1-(chloromethyl)-N-[3-(2-methoxyethoxy)propyl]-3-methylcyclohexan-1-amine

1-(chloromethyl)-N-[3-(2-methoxyethoxy)propyl]-3-methylcyclohexan-1-amine (PubChem CID 103413064) has the molecular formula C14H28ClNO2 and a molecular weight of 277.84 g/mol. Its IUPAC name is 1-(chloromethyl)-N-[3-(2-methoxyethoxy)propyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-[3-(2-methoxyethoxy)propyl]-3-methylcyclohexan-1-amine
PubChem CID103413064
Molecular FormulaC14H28ClNO2
Molecular Weight277.84 g/mol
Exact Mass277.18
IUPAC Name1-(chloromethyl)-N-[3-(2-methoxyethoxy)propyl]-3-methylcyclohexan-1-amine
SMILESCOCCOCCCNC1(CCl)CCCC(C)C1
InChIInChI=1S/C14H28ClNO2/c1-13-5-3-6-14(11-13,12-15)16-7-4-8-18-10-9-17-2/h13,16H,3-12H2,1-2H3
InChIKeySERLLWLMOLKIBF-UHFFFAOYSA-N
XLogP2.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 52.82
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

1-(chloromethyl)-N-[2-(3-methoxypropoxy)ethyl]-3-methylcyclohexan-1-amine
CID 103183987
1-(chloromethyl)-3-methyl-N-octylcyclohexan-1-amine
CID 65029958
1-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-amine
CID 104567212
1-(chloromethyl)-N-(4-methoxybutyl)cyclopentan-1-amine
CID 104649733
1-(chloromethyl)-3-methyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 65030476
1-(chloromethyl)-3-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine
CID 107913724
1-(chloromethyl)-N-(3-ethoxypropyl)-4-methylcyclohexan-1-amine
CID 65178436
N-[[1-[2-(3-methoxypropoxy)ethoxy]-3-methylcyclohexyl]methyl]propan-1-amine
CID 103180376
methyl 4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]butanoate
CID 62552200
1-(chloromethyl)-3-methyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 65030361
N-[3-(2-methoxyethoxy)propyl]-1-methylcyclobutan-1-amine
CID 103409682
N-[1-(chloromethyl)-3-methylcyclohexyl]acetamide
CID 114303940

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-N-[3-(2-methoxyethoxy)propyl]-3-methylcyclohexan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-[3-(2-methoxyethoxy)propyl]-3-methylcyclohexan-1-amine (CID 103413064) is 1-(chloromethyl)-N-[3-(2-methoxyethoxy)propyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-[3-(2-methoxyethoxy)propyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-[3-(2-methoxyethoxy)propyl]-3-methylcyclohexan-1-amine is COCCOCCCNC1(CCl)CCCC(C)C1.
What is the InChIKey of 1-(chloromethyl)-N-[3-(2-methoxyethoxy)propyl]-3-methylcyclohexan-1-amine?
The InChIKey is SERLLWLMOLKIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28ClNO2/c1-13-5-3-6-14(11-13,12-15)16-7-4-8-18-10-9-17-2/h13,16H,3-12H2,1-2H3.
What are the key properties of 1-(chloromethyl)-N-[3-(2-methoxyethoxy)propyl]-3-methylcyclohexan-1-amine?
1-(chloromethyl)-N-[3-(2-methoxyethoxy)propyl]-3-methylcyclohexan-1-amine has a molecular weight of 277.84 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-[3-(2-methoxyethoxy)propyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 103413064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).