1-(chloromethyl)-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine

C14H28ClNO — CID 65025151

IUPAC1-(chloromethyl)-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine
SMILESCC(C)CCOCCNC1(CCl)CCCCC1
InChIInChI=1S/C14H28ClNO/c1-13(2)6-10-17-11-9-16-14(12-15)7-4-3-5-8-14/h13,16H,3-12H2,1-2H3
InChIKeyRWDYDBNKPOLNJE-UHFFFAOYSA-N
MW261.84 g/mol
LogP3.58
Rot. Bonds8

About 1-(chloromethyl)-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine

1-(chloromethyl)-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine (PubChem CID 65025151) has the molecular formula C14H28ClNO and a molecular weight of 261.84 g/mol. Its IUPAC name is 1-(chloromethyl)-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine
PubChem CID65025151
Molecular FormulaC14H28ClNO
Molecular Weight261.84 g/mol
Exact Mass261.19
IUPAC Name1-(chloromethyl)-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine
SMILESCC(C)CCOCCNC1(CCl)CCCCC1
InChIInChI=1S/C14H28ClNO/c1-13(2)6-10-17-11-9-16-14(12-15)7-4-3-5-8-14/h13,16H,3-12H2,1-2H3
InChIKeyRWDYDBNKPOLNJE-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.84
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine (CID 65025151) is 1-(chloromethyl)-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine is CC(C)CCOCCNC1(CCl)CCCCC1.
What is the InChIKey of 1-(chloromethyl)-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine?
The InChIKey is RWDYDBNKPOLNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28ClNO/c1-13(2)6-10-17-11-9-16-14(12-15)7-4-3-5-8-14/h13,16H,3-12H2,1-2H3.
What are the key properties of 1-(chloromethyl)-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine?
1-(chloromethyl)-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine has a molecular weight of 261.84 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 65025151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).