N'-ethyl-N'-methyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine

C8H18N6 — CID 107042369

IUPACN'-ethyl-N'-methyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine
SMILESCCN(C)CCNCc1nnn(C)n1
InChIInChI=1S/C8H18N6/c1-4-13(2)6-5-9-7-8-10-12-14(3)11-8/h9H,4-7H2,1-3H3
InChIKeyBSHIBVLALUNFRO-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.75
Rot. Bonds6

About N'-ethyl-N'-methyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine

N'-ethyl-N'-methyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine (PubChem CID 107042369) has the molecular formula C8H18N6 and a molecular weight of 198.27 g/mol. Its IUPAC name is N'-ethyl-N'-methyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-methyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID107042369
Molecular FormulaC8H18N6
Molecular Weight198.27 g/mol
Exact Mass198.16
IUPAC NameN'-ethyl-N'-methyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine
SMILESCCN(C)CCNCc1nnn(C)n1
InChIInChI=1S/C8H18N6/c1-4-13(2)6-5-9-7-8-10-12-14(3)11-8/h9H,4-7H2,1-3H3
InChIKeyBSHIBVLALUNFRO-UHFFFAOYSA-N
XLogP-0.75
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-methyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-methyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine (CID 107042369) is N'-ethyl-N'-methyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-methyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-methyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine is CCN(C)CCNCc1nnn(C)n1.
What is the InChIKey of N'-ethyl-N'-methyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is BSHIBVLALUNFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N6/c1-4-13(2)6-5-9-7-8-10-12-14(3)11-8/h9H,4-7H2,1-3H3.
What are the key properties of N'-ethyl-N'-methyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine?
N'-ethyl-N'-methyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 198.27 g/mol, XLogP of -0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-methyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 107042369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).