N-(3-chloropropyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutanamine

C13H24ClNO — CID 102860592

IUPACN-(3-chloropropyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutanamine
SMILESClCCCN(CCC1CCCO1)C1CCC1
InChIInChI=1S/C13H24ClNO/c14-8-3-9-15(12-4-1-5-12)10-7-13-6-2-11-16-13/h12-13H,1-11H2
InChIKeyWHMIIRIWPNLWTQ-UHFFFAOYSA-N
MW245.79 g/mol
LogP3.04
Rot. Bonds7

About N-(3-chloropropyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutanamine

N-(3-chloropropyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutanamine (PubChem CID 102860592) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutanamine.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutanamine
PubChem CID102860592
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC NameN-(3-chloropropyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutanamine
SMILESClCCCN(CCC1CCCO1)C1CCC1
InChIInChI=1S/C13H24ClNO/c14-8-3-9-15(12-4-1-5-12)10-7-13-6-2-11-16-13/h12-13H,1-11H2
InChIKeyWHMIIRIWPNLWTQ-UHFFFAOYSA-N
XLogP3.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 53.04
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

N'-cyclohexyl-N'-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine
CID 65158410
N'-cyclopentyl-N'-[2-(oxolan-2-yl)ethyl]ethane-1,2-diamine
CID 65158903
N-(2-bromoethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine
CID 80670025
N'-cyclohexyl-N'-[3-(oxolan-2-yl)propyl]ethane-1,2-diamine
CID 65165454
N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclopentanamine
CID 63388993
(2S)-2-(6-chlorohexyl)oxolane
CID 155932056
5-chloro-N-methyl-N-[2-(oxolan-2-yl)ethyl]pentan-1-amine
CID 107205020
N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclopentanamine
CID 63389279
2-(3-chloropropyl)oxane
CID 23511686
N-(3-chloropropyl)-N-cyclobutyl-2-(oxolan-2-yl)acetamide
CID 102872121
N-(2-chloroethyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65165670
N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclohexanamine
CID 63386966

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutanamine?
The IUPAC name of N-(3-chloropropyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutanamine (CID 102860592) is N-(3-chloropropyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutanamine.
What is the SMILES notation for N-(3-chloropropyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutanamine?
The canonical SMILES for N-(3-chloropropyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutanamine is ClCCCN(CCC1CCCO1)C1CCC1.
What is the InChIKey of N-(3-chloropropyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutanamine?
The InChIKey is WHMIIRIWPNLWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c14-8-3-9-15(12-4-1-5-12)10-7-13-6-2-11-16-13/h12-13H,1-11H2.
What are the key properties of N-(3-chloropropyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutanamine?
N-(3-chloropropyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutanamine has a molecular weight of 245.79 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutanamine is sourced from PubChem (CID 102860592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).