N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclobutanamine

C11H20ClNO — CID 102861128

IUPACN-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclobutanamine
SMILESClCCN(CC1CCCO1)C1CCC1
InChIInChI=1S/C11H20ClNO/c12-6-7-13(10-3-1-4-10)9-11-5-2-8-14-11/h10-11H,1-9H2
InChIKeyICYHEHLDFPQUEM-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.26
Rot. Bonds5

About N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclobutanamine

N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclobutanamine (PubChem CID 102861128) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclobutanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclobutanamine
PubChem CID102861128
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC NameN-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclobutanamine
SMILESClCCN(CC1CCCO1)C1CCC1
InChIInChI=1S/C11H20ClNO/c12-6-7-13(10-3-1-4-10)9-11-5-2-8-14-11/h10-11H,1-9H2
InChIKeyICYHEHLDFPQUEM-UHFFFAOYSA-N
XLogP2.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.26
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

Furfurylamine, tetrahydro-N,N-bis(2-chloroethyl)-
CID 45696
N-(2-chloroethyl)-2,2-difluoro-N-(oxolan-2-ylmethyl)ethanamine
CID 107487790
(2R)-1-(2-chloroethyl)-2-(methoxymethyl)pyrrolidine
CID 59293405
(2S,4R)-1-(2-chloroethyl)-4-methoxy-2-(methoxymethyl)pyrrolidine
CID 69416530
3-chloro-N-ethyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55137393
2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61435409
5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pentan-1-amine
CID 61435455
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
3-chloro-N-methyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 61436037
5-chloro-N-methyl-N-(oxolan-2-ylmethyl)pentan-1-amine
CID 61436040
4-chloro-N-methyl-N-(oxolan-2-ylmethyl)butan-1-amine
CID 61749241
4-chloro-N-ethyl-N-(oxolan-2-ylmethyl)butan-1-amine
CID 61749432

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclobutanamine?
The IUPAC name of N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclobutanamine (CID 102861128) is N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclobutanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclobutanamine?
The canonical SMILES for N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclobutanamine is ClCCN(CC1CCCO1)C1CCC1.
What is the InChIKey of N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclobutanamine?
The InChIKey is ICYHEHLDFPQUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c12-6-7-13(10-3-1-4-10)9-11-5-2-8-14-11/h10-11H,1-9H2.
What are the key properties of N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclobutanamine?
N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclobutanamine has a molecular weight of 217.74 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclobutanamine is sourced from PubChem (CID 102861128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).