2-N-cyclopropyl-2-N-ethyl-1-N-methylcyclododecane-1,2-diamine

C18H36N2 — CID 63465935

IUPAC2-N-cyclopropyl-2-N-ethyl-1-N-methylcyclododecane-1,2-diamine
SMILESCCN(C1CC1)C1CCCCCCCCCCC1NC
InChIInChI=1S/C18H36N2/c1-3-20(16-14-15-16)18-13-11-9-7-5-4-6-8-10-12-17(18)19-2/h16-19H,3-15H2,1-2H3
InChIKeySWCWHBJSSCMYKC-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.34
Rot. Bonds4

About 2-N-cyclopropyl-2-N-ethyl-1-N-methylcyclododecane-1,2-diamine

2-N-cyclopropyl-2-N-ethyl-1-N-methylcyclododecane-1,2-diamine (PubChem CID 63465935) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-N-ethyl-1-N-methylcyclododecane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N-ethyl-1-N-methylcyclododecane-1,2-diamine
PubChem CID63465935
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-N-cyclopropyl-2-N-ethyl-1-N-methylcyclododecane-1,2-diamine
SMILESCCN(C1CC1)C1CCCCCCCCCCC1NC
InChIInChI=1S/C18H36N2/c1-3-20(16-14-15-16)18-13-11-9-7-5-4-6-8-10-12-17(18)19-2/h16-19H,3-15H2,1-2H3
InChIKeySWCWHBJSSCMYKC-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N-ethyl-1-N-methylcyclododecane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-2-N-ethyl-1-N-methylcyclododecane-1,2-diamine (CID 63465935) is 2-N-cyclopropyl-2-N-ethyl-1-N-methylcyclododecane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N-ethyl-1-N-methylcyclododecane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-N-ethyl-1-N-methylcyclododecane-1,2-diamine is CCN(C1CC1)C1CCCCCCCCCCC1NC.
What is the InChIKey of 2-N-cyclopropyl-2-N-ethyl-1-N-methylcyclododecane-1,2-diamine?
The InChIKey is SWCWHBJSSCMYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-3-20(16-14-15-16)18-13-11-9-7-5-4-6-8-10-12-17(18)19-2/h16-19H,3-15H2,1-2H3.
What are the key properties of 2-N-cyclopropyl-2-N-ethyl-1-N-methylcyclododecane-1,2-diamine?
2-N-cyclopropyl-2-N-ethyl-1-N-methylcyclododecane-1,2-diamine has a molecular weight of 280.50 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-N-ethyl-1-N-methylcyclododecane-1,2-diamine is sourced from PubChem (CID 63465935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).