N'-[[(ethylaminomethylamino)methylamino]methyl]-N-methylmethanediamine

C7H21N5 — CID 18714435

IUPACN'-[[(ethylaminomethylamino)methylamino]methyl]-N-methylmethanediamine
SMILESCCNCNCNCNCNC
InChIInChI=1S/C7H21N5/c1-3-9-5-11-7-12-6-10-4-8-2/h8-12H,3-7H2,1-2H3
InChIKeyFIXKVPNUQLFKRC-UHFFFAOYSA-N
MW175.28 g/mol
LogP-1.59
Rot. Bonds9

About N'-[[(ethylaminomethylamino)methylamino]methyl]-N-methylmethanediamine

N'-[[(ethylaminomethylamino)methylamino]methyl]-N-methylmethanediamine (PubChem CID 18714435) has the molecular formula C7H21N5 and a molecular weight of 175.28 g/mol. Its IUPAC name is N'-[[(ethylaminomethylamino)methylamino]methyl]-N-methylmethanediamine.

Molecular Properties

Compound NameN'-[[(ethylaminomethylamino)methylamino]methyl]-N-methylmethanediamine
PubChem CID18714435
Molecular FormulaC7H21N5
Molecular Weight175.28 g/mol
Exact Mass175.18
IUPAC NameN'-[[(ethylaminomethylamino)methylamino]methyl]-N-methylmethanediamine
SMILESCCNCNCNCNCNC
InChIInChI=1S/C7H21N5/c1-3-9-5-11-7-12-6-10-4-8-2/h8-12H,3-7H2,1-2H3
InChIKeyFIXKVPNUQLFKRC-UHFFFAOYSA-N
XLogP-1.59
TPSA60.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 5-1.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[[(ethylaminomethylamino)methylamino]methyl]-N-methylmethanediamine?
The IUPAC name of N'-[[(ethylaminomethylamino)methylamino]methyl]-N-methylmethanediamine (CID 18714435) is N'-[[(ethylaminomethylamino)methylamino]methyl]-N-methylmethanediamine.
What is the SMILES notation for N'-[[(ethylaminomethylamino)methylamino]methyl]-N-methylmethanediamine?
The canonical SMILES for N'-[[(ethylaminomethylamino)methylamino]methyl]-N-methylmethanediamine is CCNCNCNCNCNC.
What is the InChIKey of N'-[[(ethylaminomethylamino)methylamino]methyl]-N-methylmethanediamine?
The InChIKey is FIXKVPNUQLFKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H21N5/c1-3-9-5-11-7-12-6-10-4-8-2/h8-12H,3-7H2,1-2H3.
What are the key properties of N'-[[(ethylaminomethylamino)methylamino]methyl]-N-methylmethanediamine?
N'-[[(ethylaminomethylamino)methylamino]methyl]-N-methylmethanediamine has a molecular weight of 175.28 g/mol, XLogP of -1.59, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(ethylaminomethylamino)methylamino]methyl]-N-methylmethanediamine is sourced from PubChem (CID 18714435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).