N-(2-butoxyethyl)-N-(2-chloroethyl)cyclohexanamine

C14H28ClNO — CID 63386914

IUPACN-(2-butoxyethyl)-N-(2-chloroethyl)cyclohexanamine
SMILESCCCCOCCN(CCCl)C1CCCCC1
InChIInChI=1S/C14H28ClNO/c1-2-3-12-17-13-11-16(10-9-15)14-7-5-4-6-8-14/h14H,2-13H2,1H3
InChIKeyBFQUFWJDYUHPEC-UHFFFAOYSA-N
MW261.84 g/mol
LogP3.68
Rot. Bonds9

About N-(2-butoxyethyl)-N-(2-chloroethyl)cyclohexanamine

N-(2-butoxyethyl)-N-(2-chloroethyl)cyclohexanamine (PubChem CID 63386914) has the molecular formula C14H28ClNO and a molecular weight of 261.84 g/mol. Its IUPAC name is N-(2-butoxyethyl)-N-(2-chloroethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-N-(2-chloroethyl)cyclohexanamine
PubChem CID63386914
Molecular FormulaC14H28ClNO
Molecular Weight261.84 g/mol
Exact Mass261.19
IUPAC NameN-(2-butoxyethyl)-N-(2-chloroethyl)cyclohexanamine
SMILESCCCCOCCN(CCCl)C1CCCCC1
InChIInChI=1S/C14H28ClNO/c1-2-3-12-17-13-11-16(10-9-15)14-7-5-4-6-8-14/h14H,2-13H2,1H3
InChIKeyBFQUFWJDYUHPEC-UHFFFAOYSA-N
XLogP3.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.84
LogP ≤ 53.68
H-Bond Donors ≤ 50
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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Related Compounds

N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)cyclopropanamine
CID 104567115
N-(3-chloropropyl)-N-(2-propoxyethyl)cyclobutanamine
CID 106457906
N-(2-bromoethyl)-N-(2-butoxyethyl)cyclobutanamine
CID 102860799
N-[2-(2-chloroethoxy)ethyl]-N-ethylcyclohexanamine
CID 63665894
N-butyl-N-[2-(3-methylbutoxy)ethyl]cyclohexanamine
CID 170541781
N,N-bis(2-chloroethyl)cyclooctanamine
CID 11075940
N-(2-chloroethyl)-N-pentylcyclopropanamine
CID 63388032
4-N-(2-butoxyethyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112173
N-(3-chloropropyl)-N-[2-(3-methylbutoxy)ethyl]cyclobutanamine
CID 102860630
N-butyl-N-propylcyclohexanamine
CID 15751893
N,N-dipropylcyclodecanamine
CID 139723962
N-[2-(2-aminoethoxy)ethyl]-N-ethylcyclohexanamine
CID 19098628

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-N-(2-chloroethyl)cyclohexanamine?
The IUPAC name of N-(2-butoxyethyl)-N-(2-chloroethyl)cyclohexanamine (CID 63386914) is N-(2-butoxyethyl)-N-(2-chloroethyl)cyclohexanamine.
What is the SMILES notation for N-(2-butoxyethyl)-N-(2-chloroethyl)cyclohexanamine?
The canonical SMILES for N-(2-butoxyethyl)-N-(2-chloroethyl)cyclohexanamine is CCCCOCCN(CCCl)C1CCCCC1.
What is the InChIKey of N-(2-butoxyethyl)-N-(2-chloroethyl)cyclohexanamine?
The InChIKey is BFQUFWJDYUHPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28ClNO/c1-2-3-12-17-13-11-16(10-9-15)14-7-5-4-6-8-14/h14H,2-13H2,1H3.
What are the key properties of N-(2-butoxyethyl)-N-(2-chloroethyl)cyclohexanamine?
N-(2-butoxyethyl)-N-(2-chloroethyl)cyclohexanamine has a molecular weight of 261.84 g/mol, XLogP of 3.68, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-N-(2-chloroethyl)cyclohexanamine is sourced from PubChem (CID 63386914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).