1-N'-(1-ethyl-2-methylcyclopropyl)-1-N'-pentan-2-ylethane-1,1-diamine

C13H28N2 — CID 123342047

IUPAC1-N'-(1-ethyl-2-methylcyclopropyl)-1-N'-pentan-2-ylethane-1,1-diamine
SMILESCCCC(C)N(C(C)N)C1(CC)CC1C
InChIInChI=1S/C13H28N2/c1-6-8-11(4)15(12(5)14)13(7-2)9-10(13)3/h10-12H,6-9,14H2,1-5H3
InChIKeyNETKZSOVLUTZCT-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.97
Rot. Bonds6

About 1-N'-(1-ethyl-2-methylcyclopropyl)-1-N'-pentan-2-ylethane-1,1-diamine

1-N'-(1-ethyl-2-methylcyclopropyl)-1-N'-pentan-2-ylethane-1,1-diamine (PubChem CID 123342047) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-N'-(1-ethyl-2-methylcyclopropyl)-1-N'-pentan-2-ylethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(1-ethyl-2-methylcyclopropyl)-1-N'-pentan-2-ylethane-1,1-diamine
PubChem CID123342047
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-N'-(1-ethyl-2-methylcyclopropyl)-1-N'-pentan-2-ylethane-1,1-diamine
SMILESCCCC(C)N(C(C)N)C1(CC)CC1C
InChIInChI=1S/C13H28N2/c1-6-8-11(4)15(12(5)14)13(7-2)9-10(13)3/h10-12H,6-9,14H2,1-5H3
InChIKeyNETKZSOVLUTZCT-UHFFFAOYSA-N
XLogP2.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N'-(1-ethyl-2-methylcyclopropyl)-1-N'-pentan-2-ylethane-1,1-diamine?
The IUPAC name of 1-N'-(1-ethyl-2-methylcyclopropyl)-1-N'-pentan-2-ylethane-1,1-diamine (CID 123342047) is 1-N'-(1-ethyl-2-methylcyclopropyl)-1-N'-pentan-2-ylethane-1,1-diamine.
What is the SMILES notation for 1-N'-(1-ethyl-2-methylcyclopropyl)-1-N'-pentan-2-ylethane-1,1-diamine?
The canonical SMILES for 1-N'-(1-ethyl-2-methylcyclopropyl)-1-N'-pentan-2-ylethane-1,1-diamine is CCCC(C)N(C(C)N)C1(CC)CC1C.
What is the InChIKey of 1-N'-(1-ethyl-2-methylcyclopropyl)-1-N'-pentan-2-ylethane-1,1-diamine?
The InChIKey is NETKZSOVLUTZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-6-8-11(4)15(12(5)14)13(7-2)9-10(13)3/h10-12H,6-9,14H2,1-5H3.
What are the key properties of 1-N'-(1-ethyl-2-methylcyclopropyl)-1-N'-pentan-2-ylethane-1,1-diamine?
1-N'-(1-ethyl-2-methylcyclopropyl)-1-N'-pentan-2-ylethane-1,1-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(1-ethyl-2-methylcyclopropyl)-1-N'-pentan-2-ylethane-1,1-diamine is sourced from PubChem (CID 123342047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).