3-N-[[ethyl(ethylamino)amino]methyl]-1-N-methylbutane-1,3-diamine

C10H26N4 — CID 118974931

IUPAC3-N-[[ethyl(ethylamino)amino]methyl]-1-N-methylbutane-1,3-diamine
SMILESCCNN(CC)CNC(C)CCNC
InChIInChI=1S/C10H26N4/c1-5-13-14(6-2)9-12-10(3)7-8-11-4/h10-13H,5-9H2,1-4H3
InChIKeyGSKMTMGMZDWLLU-UHFFFAOYSA-N
MW202.35 g/mol
LogP0.38
Rot. Bonds9

About 3-N-[[ethyl(ethylamino)amino]methyl]-1-N-methylbutane-1,3-diamine

3-N-[[ethyl(ethylamino)amino]methyl]-1-N-methylbutane-1,3-diamine (PubChem CID 118974931) has the molecular formula C10H26N4 and a molecular weight of 202.35 g/mol. Its IUPAC name is 3-N-[[ethyl(ethylamino)amino]methyl]-1-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-[[ethyl(ethylamino)amino]methyl]-1-N-methylbutane-1,3-diamine
PubChem CID118974931
Molecular FormulaC10H26N4
Molecular Weight202.35 g/mol
Exact Mass202.22
IUPAC Name3-N-[[ethyl(ethylamino)amino]methyl]-1-N-methylbutane-1,3-diamine
SMILESCCNN(CC)CNC(C)CCNC
InChIInChI=1S/C10H26N4/c1-5-13-14(6-2)9-12-10(3)7-8-11-4/h10-13H,5-9H2,1-4H3
InChIKeyGSKMTMGMZDWLLU-UHFFFAOYSA-N
XLogP0.38
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.35
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-N-[[ethyl(ethylamino)amino]methyl]-1-N-methylbutane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-N-[[ethyl(ethylamino)amino]methyl]-1-N-methylbutane-1,3-diamine?
The IUPAC name of 3-N-[[ethyl(ethylamino)amino]methyl]-1-N-methylbutane-1,3-diamine (CID 118974931) is 3-N-[[ethyl(ethylamino)amino]methyl]-1-N-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-[[ethyl(ethylamino)amino]methyl]-1-N-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-[[ethyl(ethylamino)amino]methyl]-1-N-methylbutane-1,3-diamine is CCNN(CC)CNC(C)CCNC.
What is the InChIKey of 3-N-[[ethyl(ethylamino)amino]methyl]-1-N-methylbutane-1,3-diamine?
The InChIKey is GSKMTMGMZDWLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N4/c1-5-13-14(6-2)9-12-10(3)7-8-11-4/h10-13H,5-9H2,1-4H3.
What are the key properties of 3-N-[[ethyl(ethylamino)amino]methyl]-1-N-methylbutane-1,3-diamine?
3-N-[[ethyl(ethylamino)amino]methyl]-1-N-methylbutane-1,3-diamine has a molecular weight of 202.35 g/mol, XLogP of 0.38, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[ethyl(ethylamino)amino]methyl]-1-N-methylbutane-1,3-diamine is sourced from PubChem (CID 118974931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).