N',N'-bis(propan-2-ylamino)ethane-1,2-diamine

C8H22N4 — CID 154306769

IUPACN',N'-bis(propan-2-ylamino)ethane-1,2-diamine
SMILESCC(C)NN(CCN)NC(C)C
InChIInChI=1S/C8H22N4/c1-7(2)10-12(6-5-9)11-8(3)4/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyZLQQMUAFCZLWLV-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.07
Rot. Bonds6

About N',N'-bis(propan-2-ylamino)ethane-1,2-diamine

N',N'-bis(propan-2-ylamino)ethane-1,2-diamine (PubChem CID 154306769) has the molecular formula C8H22N4 and a molecular weight of 174.29 g/mol. Its IUPAC name is N',N'-bis(propan-2-ylamino)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-bis(propan-2-ylamino)ethane-1,2-diamine
PubChem CID154306769
Molecular FormulaC8H22N4
Molecular Weight174.29 g/mol
Exact Mass174.18
IUPAC NameN',N'-bis(propan-2-ylamino)ethane-1,2-diamine
SMILESCC(C)NN(CCN)NC(C)C
InChIInChI=1S/C8H22N4/c1-7(2)10-12(6-5-9)11-8(3)4/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyZLQQMUAFCZLWLV-UHFFFAOYSA-N
XLogP0.07
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-bis(propan-2-ylamino)ethane-1,2-diamine?
The IUPAC name of N',N'-bis(propan-2-ylamino)ethane-1,2-diamine (CID 154306769) is N',N'-bis(propan-2-ylamino)ethane-1,2-diamine.
What is the SMILES notation for N',N'-bis(propan-2-ylamino)ethane-1,2-diamine?
The canonical SMILES for N',N'-bis(propan-2-ylamino)ethane-1,2-diamine is CC(C)NN(CCN)NC(C)C.
What is the InChIKey of N',N'-bis(propan-2-ylamino)ethane-1,2-diamine?
The InChIKey is ZLQQMUAFCZLWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N4/c1-7(2)10-12(6-5-9)11-8(3)4/h7-8,10-11H,5-6,9H2,1-4H3.
What are the key properties of N',N'-bis(propan-2-ylamino)ethane-1,2-diamine?
N',N'-bis(propan-2-ylamino)ethane-1,2-diamine has a molecular weight of 174.29 g/mol, XLogP of 0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(propan-2-ylamino)ethane-1,2-diamine is sourced from PubChem (CID 154306769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).