N-(4-chlorocyclohexyl)-N',N'-diethylethane-1,2-diamine

C12H25ClN2 — CID 107913675

IUPACN-(4-chlorocyclohexyl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC1CCC(Cl)CC1
InChIInChI=1S/C12H25ClN2/c1-3-15(4-2)10-9-14-12-7-5-11(13)6-8-12/h11-12,14H,3-10H2,1-2H3
InChIKeyGRLKAPPOIWMEQN-UHFFFAOYSA-N
MW232.80 g/mol
LogP2.47
Rot. Bonds6

About N-(4-chlorocyclohexyl)-N',N'-diethylethane-1,2-diamine

N-(4-chlorocyclohexyl)-N',N'-diethylethane-1,2-diamine (PubChem CID 107913675) has the molecular formula C12H25ClN2 and a molecular weight of 232.80 g/mol. Its IUPAC name is N-(4-chlorocyclohexyl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-chlorocyclohexyl)-N',N'-diethylethane-1,2-diamine
PubChem CID107913675
Molecular FormulaC12H25ClN2
Molecular Weight232.80 g/mol
Exact Mass232.17
IUPAC NameN-(4-chlorocyclohexyl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC1CCC(Cl)CC1
InChIInChI=1S/C12H25ClN2/c1-3-15(4-2)10-9-14-12-7-5-11(13)6-8-12/h11-12,14H,3-10H2,1-2H3
InChIKeyGRLKAPPOIWMEQN-UHFFFAOYSA-N
XLogP2.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.80
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N',N'-diethylpropane-1,3-diamine
CID 60866749
N-cyclopropyl-N',N'-diethylpentane-1,5-diamine
CID 62438484
N-cyclopropyl-N'-ethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 61446699
1-[4-[2-(diethylamino)ethylamino]piperidin-1-yl]ethanone
CID 43222555
N'-(cyclopropylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63938742
4-chloro-N-hexylcyclohexan-1-amine
CID 65024365
4-chloro-N-octylcyclohexan-1-amine
CID 65023952
4-chloro-N-decylcyclohexan-1-amine
CID 65024074
N'-(cyclobutylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 107402187
N',N'-diethyl-N-[1-(2-methylpropyl)piperidin-4-yl]ethane-1,2-diamine
CID 103775624
N-cyclopropyl-N'-ethyl-N'-propylpropane-1,3-diamine
CID 60867670
N'-butyl-N-cycloheptyl-N'-ethylethane-1,2-diamine
CID 62575467

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorocyclohexyl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(4-chlorocyclohexyl)-N',N'-diethylethane-1,2-diamine (CID 107913675) is N-(4-chlorocyclohexyl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(4-chlorocyclohexyl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(4-chlorocyclohexyl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNC1CCC(Cl)CC1.
What is the InChIKey of N-(4-chlorocyclohexyl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is GRLKAPPOIWMEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ClN2/c1-3-15(4-2)10-9-14-12-7-5-11(13)6-8-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-(4-chlorocyclohexyl)-N',N'-diethylethane-1,2-diamine?
N-(4-chlorocyclohexyl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 232.80 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorocyclohexyl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 107913675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).