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

C9H24N4 — CID 118974788

IUPAC3-N-[[amino(ethyl)amino]methyl]-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCCN(N)CNC(C)CCN(C)C
InChIInChI=1S/C9H24N4/c1-5-13(10)8-11-9(2)6-7-12(3)4/h9,11H,5-8,10H2,1-4H3
InChIKeyCUGYMPZOBHOQPK-UHFFFAOYSA-N
MW188.32 g/mol
LogP0.07
Rot. Bonds7

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

3-N-[[amino(ethyl)amino]methyl]-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 118974788) has the molecular formula C9H24N4 and a molecular weight of 188.32 g/mol. Its IUPAC name is 3-N-[[amino(ethyl)amino]methyl]-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-[[amino(ethyl)amino]methyl]-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID118974788
Molecular FormulaC9H24N4
Molecular Weight188.32 g/mol
Exact Mass188.20
IUPAC Name3-N-[[amino(ethyl)amino]methyl]-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCCN(N)CNC(C)CCN(C)C
InChIInChI=1S/C9H24N4/c1-5-13(10)8-11-9(2)6-7-12(3)4/h9,11H,5-8,10H2,1-4H3
InChIKeyCUGYMPZOBHOQPK-UHFFFAOYSA-N
XLogP0.07
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N-[[amino(ethyl)amino]methyl]-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-[[amino(ethyl)amino]methyl]-1-N,1-N-dimethylbutane-1,3-diamine (CID 118974788) is 3-N-[[amino(ethyl)amino]methyl]-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-[[amino(ethyl)amino]methyl]-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-[[amino(ethyl)amino]methyl]-1-N,1-N-dimethylbutane-1,3-diamine is CCN(N)CNC(C)CCN(C)C.
What is the InChIKey of 3-N-[[amino(ethyl)amino]methyl]-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is CUGYMPZOBHOQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N4/c1-5-13(10)8-11-9(2)6-7-12(3)4/h9,11H,5-8,10H2,1-4H3.
What are the key properties of 3-N-[[amino(ethyl)amino]methyl]-1-N,1-N-dimethylbutane-1,3-diamine?
3-N-[[amino(ethyl)amino]methyl]-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 188.32 g/mol, XLogP of 0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[amino(ethyl)amino]methyl]-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 118974788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).