N',1-dicyclopropyl-N'-ethyl-N-methylethane-1,2-diamine

C11H22N2 — CID 63913422

IUPACN',1-dicyclopropyl-N'-ethyl-N-methylethane-1,2-diamine
SMILESCCN(CC(NC)C1CC1)C1CC1
InChIInChI=1S/C11H22N2/c1-3-13(10-6-7-10)8-11(12-2)9-4-5-9/h9-12H,3-8H2,1-2H3
InChIKeyAPHGQUZVANUJMY-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.47
Rot. Bonds6

About N',1-dicyclopropyl-N'-ethyl-N-methylethane-1,2-diamine

N',1-dicyclopropyl-N'-ethyl-N-methylethane-1,2-diamine (PubChem CID 63913422) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N',1-dicyclopropyl-N'-ethyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN',1-dicyclopropyl-N'-ethyl-N-methylethane-1,2-diamine
PubChem CID63913422
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN',1-dicyclopropyl-N'-ethyl-N-methylethane-1,2-diamine
SMILESCCN(CC(NC)C1CC1)C1CC1
InChIInChI=1S/C11H22N2/c1-3-13(10-6-7-10)8-11(12-2)9-4-5-9/h9-12H,3-8H2,1-2H3
InChIKeyAPHGQUZVANUJMY-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N',1-dicyclopropyl-N'-ethyl-N-methylethane-1,2-diamine?
The IUPAC name of N',1-dicyclopropyl-N'-ethyl-N-methylethane-1,2-diamine (CID 63913422) is N',1-dicyclopropyl-N'-ethyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N',1-dicyclopropyl-N'-ethyl-N-methylethane-1,2-diamine?
The canonical SMILES for N',1-dicyclopropyl-N'-ethyl-N-methylethane-1,2-diamine is CCN(CC(NC)C1CC1)C1CC1.
What is the InChIKey of N',1-dicyclopropyl-N'-ethyl-N-methylethane-1,2-diamine?
The InChIKey is APHGQUZVANUJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-13(10-6-7-10)8-11(12-2)9-4-5-9/h9-12H,3-8H2,1-2H3.
What are the key properties of N',1-dicyclopropyl-N'-ethyl-N-methylethane-1,2-diamine?
N',1-dicyclopropyl-N'-ethyl-N-methylethane-1,2-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',1-dicyclopropyl-N'-ethyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 63913422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).