[[amino(methyl)amino]-methylamino]-(5-ethylthiophen-2-yl)methanamine

C9H18N4S — CID 142831502

IUPAC[[amino(methyl)amino]-methylamino]-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(C(N)N(C)N(C)N)s1
InChIInChI=1S/C9H18N4S/c1-4-7-5-6-8(14-7)9(10)12(2)13(3)11/h5-6,9H,4,10-11H2,1-3H3
InChIKeyMDPWLINLWNWZOQ-UHFFFAOYSA-N
MW214.34 g/mol
LogP0.92
Rot. Bonds4

About [[amino(methyl)amino]-methylamino]-(5-ethylthiophen-2-yl)methanamine

[[amino(methyl)amino]-methylamino]-(5-ethylthiophen-2-yl)methanamine (PubChem CID 142831502) has the molecular formula C9H18N4S and a molecular weight of 214.34 g/mol. Its IUPAC name is [[amino(methyl)amino]-methylamino]-(5-ethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name[[amino(methyl)amino]-methylamino]-(5-ethylthiophen-2-yl)methanamine
PubChem CID142831502
Molecular FormulaC9H18N4S
Molecular Weight214.34 g/mol
Exact Mass214.13
IUPAC Name[[amino(methyl)amino]-methylamino]-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(C(N)N(C)N(C)N)s1
InChIInChI=1S/C9H18N4S/c1-4-7-5-6-8(14-7)9(10)12(2)13(3)11/h5-6,9H,4,10-11H2,1-3H3
InChIKeyMDPWLINLWNWZOQ-UHFFFAOYSA-N
XLogP0.92
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [[amino(methyl)amino]-methylamino]-(5-ethylthiophen-2-yl)methanamine?
The IUPAC name of [[amino(methyl)amino]-methylamino]-(5-ethylthiophen-2-yl)methanamine (CID 142831502) is [[amino(methyl)amino]-methylamino]-(5-ethylthiophen-2-yl)methanamine.
What is the SMILES notation for [[amino(methyl)amino]-methylamino]-(5-ethylthiophen-2-yl)methanamine?
The canonical SMILES for [[amino(methyl)amino]-methylamino]-(5-ethylthiophen-2-yl)methanamine is CCc1ccc(C(N)N(C)N(C)N)s1.
What is the InChIKey of [[amino(methyl)amino]-methylamino]-(5-ethylthiophen-2-yl)methanamine?
The InChIKey is MDPWLINLWNWZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S/c1-4-7-5-6-8(14-7)9(10)12(2)13(3)11/h5-6,9H,4,10-11H2,1-3H3.
What are the key properties of [[amino(methyl)amino]-methylamino]-(5-ethylthiophen-2-yl)methanamine?
[[amino(methyl)amino]-methylamino]-(5-ethylthiophen-2-yl)methanamine has a molecular weight of 214.34 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino(methyl)amino]-methylamino]-(5-ethylthiophen-2-yl)methanamine is sourced from PubChem (CID 142831502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).