N,N-bis(2-chloroethyl)cyclooctanamine

C12H23Cl2N — CID 11075940

IUPACN,N-bis(2-chloroethyl)cyclooctanamine
SMILESClCCN(CCCl)C1CCCCCCC1
InChIInChI=1S/C12H23Cl2N/c13-8-10-15(11-9-14)12-6-4-2-1-3-5-7-12/h12H,1-11H2
InChIKeyJZLVPSUROKRFMZ-UHFFFAOYSA-N
MW252.23 g/mol
LogP3.88
Rot. Bonds5

About N,N-bis(2-chloroethyl)cyclooctanamine

N,N-bis(2-chloroethyl)cyclooctanamine (PubChem CID 11075940) has the molecular formula C12H23Cl2N and a molecular weight of 252.23 g/mol. Its IUPAC name is N,N-bis(2-chloroethyl)cyclooctanamine.

Molecular Properties

Compound NameN,N-bis(2-chloroethyl)cyclooctanamine
PubChem CID11075940
Molecular FormulaC12H23Cl2N
Molecular Weight252.23 g/mol
Exact Mass251.12
IUPAC NameN,N-bis(2-chloroethyl)cyclooctanamine
SMILESClCCN(CCCl)C1CCCCCCC1
InChIInChI=1S/C12H23Cl2N/c13-8-10-15(11-9-14)12-6-4-2-1-3-5-7-12/h12H,1-11H2
InChIKeyJZLVPSUROKRFMZ-UHFFFAOYSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 53.88
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

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CID 115518352
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cycloheptanamine
CID 107489081
N-(2-chloroethyl)-N-(2-pyrrolidin-1-ylethyl)cyclopentanamine
CID 107913597
N-(2-chloroethyl)-N-cyclobutylcycloheptanamine
CID 102861307
N-(2-butoxyethyl)-N-(2-chloroethyl)cyclohexanamine
CID 63386914
N,N-dipropylcyclodecanamine
CID 139723962
2-[3-chloropropyl(cyclopentyl)amino]ethanol
CID 55208194
N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclohexanamine
CID 63386966
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
N-(2-chloroethyl)-N-prop-2-enylcyclobutanamine
CID 102861277
N-(2-chloroethyl)-N-[2-(trifluoromethoxy)ethyl]cyclobutanamine
CID 102861416
N-(2-chloroethyl)-N-pentylcyclopropanamine
CID 63388032

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-chloroethyl)cyclooctanamine?
The IUPAC name of N,N-bis(2-chloroethyl)cyclooctanamine (CID 11075940) is N,N-bis(2-chloroethyl)cyclooctanamine.
What is the SMILES notation for N,N-bis(2-chloroethyl)cyclooctanamine?
The canonical SMILES for N,N-bis(2-chloroethyl)cyclooctanamine is ClCCN(CCCl)C1CCCCCCC1.
What is the InChIKey of N,N-bis(2-chloroethyl)cyclooctanamine?
The InChIKey is JZLVPSUROKRFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23Cl2N/c13-8-10-15(11-9-14)12-6-4-2-1-3-5-7-12/h12H,1-11H2.
What are the key properties of N,N-bis(2-chloroethyl)cyclooctanamine?
N,N-bis(2-chloroethyl)cyclooctanamine has a molecular weight of 252.23 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-chloroethyl)cyclooctanamine is sourced from PubChem (CID 11075940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).