N-[[methylamino(propan-2-yl)amino]methyl]ethanamine

C7H19N3 — CID 118974829

IUPACN-[[methylamino(propan-2-yl)amino]methyl]ethanamine
SMILESCCNCN(NC)C(C)C
InChIInChI=1S/C7H19N3/c1-5-9-6-10(8-4)7(2)3/h7-9H,5-6H2,1-4H3
InChIKeyDWGNDQSIAMSDEZ-UHFFFAOYSA-N
MW145.25 g/mol
LogP0.40
Rot. Bonds5

About N-[[methylamino(propan-2-yl)amino]methyl]ethanamine

N-[[methylamino(propan-2-yl)amino]methyl]ethanamine (PubChem CID 118974829) has the molecular formula C7H19N3 and a molecular weight of 145.25 g/mol. Its IUPAC name is N-[[methylamino(propan-2-yl)amino]methyl]ethanamine.

Molecular Properties

Compound NameN-[[methylamino(propan-2-yl)amino]methyl]ethanamine
PubChem CID118974829
Molecular FormulaC7H19N3
Molecular Weight145.25 g/mol
Exact Mass145.16
IUPAC NameN-[[methylamino(propan-2-yl)amino]methyl]ethanamine
SMILESCCNCN(NC)C(C)C
InChIInChI=1S/C7H19N3/c1-5-9-6-10(8-4)7(2)3/h7-9H,5-6H2,1-4H3
InChIKeyDWGNDQSIAMSDEZ-UHFFFAOYSA-N
XLogP0.40
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of N-[[methylamino(propan-2-yl)amino]methyl]ethanamine?
The IUPAC name of N-[[methylamino(propan-2-yl)amino]methyl]ethanamine (CID 118974829) is N-[[methylamino(propan-2-yl)amino]methyl]ethanamine.
What is the SMILES notation for N-[[methylamino(propan-2-yl)amino]methyl]ethanamine?
The canonical SMILES for N-[[methylamino(propan-2-yl)amino]methyl]ethanamine is CCNCN(NC)C(C)C.
What is the InChIKey of N-[[methylamino(propan-2-yl)amino]methyl]ethanamine?
The InChIKey is DWGNDQSIAMSDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3/c1-5-9-6-10(8-4)7(2)3/h7-9H,5-6H2,1-4H3.
What are the key properties of N-[[methylamino(propan-2-yl)amino]methyl]ethanamine?
N-[[methylamino(propan-2-yl)amino]methyl]ethanamine has a molecular weight of 145.25 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[methylamino(propan-2-yl)amino]methyl]ethanamine is sourced from PubChem (CID 118974829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).