2-N,2-N-diethyl-1-N-methylcyclododecane-1,2-diamine

C17H36N2 — CID 63466542

IUPAC2-N,2-N-diethyl-1-N-methylcyclododecane-1,2-diamine
SMILESCCN(CC)C1CCCCCCCCCCC1NC
InChIInChI=1S/C17H36N2/c1-4-19(5-2)17-15-13-11-9-7-6-8-10-12-14-16(17)18-3/h16-18H,4-15H2,1-3H3
InChIKeyMZFMEMQQFLCMHS-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.20
Rot. Bonds4

About 2-N,2-N-diethyl-1-N-methylcyclododecane-1,2-diamine

2-N,2-N-diethyl-1-N-methylcyclododecane-1,2-diamine (PubChem CID 63466542) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1-N-methylcyclododecane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-1-N-methylcyclododecane-1,2-diamine
PubChem CID63466542
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2-N,2-N-diethyl-1-N-methylcyclododecane-1,2-diamine
SMILESCCN(CC)C1CCCCCCCCCCC1NC
InChIInChI=1S/C17H36N2/c1-4-19(5-2)17-15-13-11-9-7-6-8-10-12-14-16(17)18-3/h16-18H,4-15H2,1-3H3
InChIKeyMZFMEMQQFLCMHS-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-methyl-2-N,2-N-dipropylcyclododecane-1,2-diamine
CID 63466736
2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-methylcyclooctane-1,2-diamine
CID 63697025
2-N-cyclopropyl-2-N-ethyl-1-N-methylcyclododecane-1,2-diamine
CID 63465935
2-[[cyclopentyl(ethyl)amino]methyl]-N-methylcycloheptan-1-amine
CID 62615779
1-N,2-N-dimethylcycloheptane-1,2-diamine
CID 20652987
1-N,2-N-dimethylcyclooctane-1,2-diamine
CID 85255471
2-N-(4-ethylcyclohexyl)-1-N,2-N-dimethylcyclooctane-1,2-diamine
CID 63469418
1-N-(cyclobutylmethyl)-1-N,2-N-dimethylcycloheptane-1,2-diamine
CID 62862349
trans-(1R,2R)-N,N-diethyl-2-methylcyclohexan-1-amine
CID 15852265
cis-(1S,2R)-2-N-cyclopropyl-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 97170112
N,N-diethyl-1-[2-(methylamino)cycloheptyl]pyrrolidin-3-amine
CID 55158009
1-N-butyl-1-N-ethyl-2-N-propylcycloheptane-1,2-diamine
CID 63466762

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1-N-methylcyclododecane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-1-N-methylcyclododecane-1,2-diamine (CID 63466542) is 2-N,2-N-diethyl-1-N-methylcyclododecane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-1-N-methylcyclododecane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-1-N-methylcyclododecane-1,2-diamine is CCN(CC)C1CCCCCCCCCCC1NC.
What is the InChIKey of 2-N,2-N-diethyl-1-N-methylcyclododecane-1,2-diamine?
The InChIKey is MZFMEMQQFLCMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-4-19(5-2)17-15-13-11-9-7-6-8-10-12-14-16(17)18-3/h16-18H,4-15H2,1-3H3.
What are the key properties of 2-N,2-N-diethyl-1-N-methylcyclododecane-1,2-diamine?
2-N,2-N-diethyl-1-N-methylcyclododecane-1,2-diamine has a molecular weight of 268.49 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1-N-methylcyclododecane-1,2-diamine is sourced from PubChem (CID 63466542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).