2-[ethyl(methylamino)amino]-N,N-bis(methylamino)ethanamine

C7H21N5 — CID 141397796

IUPAC2-[ethyl(methylamino)amino]-N,N-bis(methylamino)ethanamine
SMILESCCN(CCN(NC)NC)NC
InChIInChI=1S/C7H21N5/c1-5-11(8-2)6-7-12(9-3)10-4/h8-10H,5-7H2,1-4H3
InChIKeyFTVJNLKLKZDUJF-UHFFFAOYSA-N
MW175.28 g/mol
LogP-0.99
Rot. Bonds7

About 2-[ethyl(methylamino)amino]-N,N-bis(methylamino)ethanamine

2-[ethyl(methylamino)amino]-N,N-bis(methylamino)ethanamine (PubChem CID 141397796) has the molecular formula C7H21N5 and a molecular weight of 175.28 g/mol. Its IUPAC name is 2-[ethyl(methylamino)amino]-N,N-bis(methylamino)ethanamine.

Molecular Properties

Compound Name2-[ethyl(methylamino)amino]-N,N-bis(methylamino)ethanamine
PubChem CID141397796
Molecular FormulaC7H21N5
Molecular Weight175.28 g/mol
Exact Mass175.18
IUPAC Name2-[ethyl(methylamino)amino]-N,N-bis(methylamino)ethanamine
SMILESCCN(CCN(NC)NC)NC
InChIInChI=1S/C7H21N5/c1-5-11(8-2)6-7-12(9-3)10-4/h8-10H,5-7H2,1-4H3
InChIKeyFTVJNLKLKZDUJF-UHFFFAOYSA-N
XLogP-0.99
TPSA42.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 2-[ethyl(methylamino)amino]-N,N-bis(methylamino)ethanamine?
The IUPAC name of 2-[ethyl(methylamino)amino]-N,N-bis(methylamino)ethanamine (CID 141397796) is 2-[ethyl(methylamino)amino]-N,N-bis(methylamino)ethanamine.
What is the SMILES notation for 2-[ethyl(methylamino)amino]-N,N-bis(methylamino)ethanamine?
The canonical SMILES for 2-[ethyl(methylamino)amino]-N,N-bis(methylamino)ethanamine is CCN(CCN(NC)NC)NC.
What is the InChIKey of 2-[ethyl(methylamino)amino]-N,N-bis(methylamino)ethanamine?
The InChIKey is FTVJNLKLKZDUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H21N5/c1-5-11(8-2)6-7-12(9-3)10-4/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-[ethyl(methylamino)amino]-N,N-bis(methylamino)ethanamine?
2-[ethyl(methylamino)amino]-N,N-bis(methylamino)ethanamine has a molecular weight of 175.28 g/mol, XLogP of -0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methylamino)amino]-N,N-bis(methylamino)ethanamine is sourced from PubChem (CID 141397796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).