N-(2-chloroethyl)-N-cyclobutylcycloheptanamine

C13H24ClN — CID 102861307

IUPACN-(2-chloroethyl)-N-cyclobutylcycloheptanamine
SMILESClCCN(C1CCCCCC1)C1CCC1
InChIInChI=1S/C13H24ClN/c14-10-11-15(13-8-5-9-13)12-6-3-1-2-4-7-12/h12-13H,1-11H2
InChIKeyWGMFICPNRUNMCL-UHFFFAOYSA-N
MW229.79 g/mol
LogP3.80
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclobutylcycloheptanamine

N-(2-chloroethyl)-N-cyclobutylcycloheptanamine (PubChem CID 102861307) has the molecular formula C13H24ClN and a molecular weight of 229.79 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclobutylcycloheptanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclobutylcycloheptanamine
PubChem CID102861307
Molecular FormulaC13H24ClN
Molecular Weight229.79 g/mol
Exact Mass229.16
IUPAC NameN-(2-chloroethyl)-N-cyclobutylcycloheptanamine
SMILESClCCN(C1CCCCCC1)C1CCC1
InChIInChI=1S/C13H24ClN/c14-10-11-15(13-8-5-9-13)12-6-3-1-2-4-7-12/h12-13H,1-11H2
InChIKeyWGMFICPNRUNMCL-UHFFFAOYSA-N
XLogP3.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.79
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(6-chlorohexyl)-N-cyclohexylcyclohexanamine
CID 63446738
N,N-bis(2-chloroethyl)cyclooctanamine
CID 11075940
N',N'-dicyclopentylethane-1,2-diamine
CID 20816831
N'-cyclohexyl-N'-cyclopropylpropane-1,3-diamine
CID 43137536
N-cyclohexyl-N-hexadecylcyclohexanamine
CID 20533826
N-cyclohexyl-N-octadecylcyclohexanamine
CID 154102011
N',N'-dicyclohexyl-N-cyclopentylethane-1,2-diamine
CID 60851932
N-cyclohexyl-N-(silylmethyl)cyclohexanamine
CID 123289765
N'-cyclobutyl-N'-cyclopentylpropane-1,3-diamine
CID 102874978
2-(dicyclohexylamino)ethanesulfonate
CID 153294170
N-cyclobutyl-N-(3-cyclopentylpropyl)cyclopentanamine
CID 175422584
4-N-cycloheptyl-4-N-propylcyclohexane-1,4-diamine
CID 79111561

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclobutylcycloheptanamine?
The IUPAC name of N-(2-chloroethyl)-N-cyclobutylcycloheptanamine (CID 102861307) is N-(2-chloroethyl)-N-cyclobutylcycloheptanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclobutylcycloheptanamine?
The canonical SMILES for N-(2-chloroethyl)-N-cyclobutylcycloheptanamine is ClCCN(C1CCCCCC1)C1CCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclobutylcycloheptanamine?
The InChIKey is WGMFICPNRUNMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN/c14-10-11-15(13-8-5-9-13)12-6-3-1-2-4-7-12/h12-13H,1-11H2.
What are the key properties of N-(2-chloroethyl)-N-cyclobutylcycloheptanamine?
N-(2-chloroethyl)-N-cyclobutylcycloheptanamine has a molecular weight of 229.79 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclobutylcycloheptanamine is sourced from PubChem (CID 102861307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).