1-N,1-N-diethyl-3-N-methyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine

C11H24N6 — CID 107050035

IUPAC1-N,1-N-diethyl-3-N-methyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine
SMILESCCN(CC)CCC(Cc1nnn(C)n1)NC
InChIInChI=1S/C11H24N6/c1-5-17(6-2)8-7-10(12-3)9-11-13-15-16(4)14-11/h10,12H,5-9H2,1-4H3
InChIKeyPMXNTPWXCTXCLA-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.07
Rot. Bonds8

About 1-N,1-N-diethyl-3-N-methyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine

1-N,1-N-diethyl-3-N-methyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine (PubChem CID 107050035) has the molecular formula C11H24N6 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-N,1-N-diethyl-3-N-methyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-3-N-methyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine
PubChem CID107050035
Molecular FormulaC11H24N6
Molecular Weight240.35 g/mol
Exact Mass240.21
IUPAC Name1-N,1-N-diethyl-3-N-methyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine
SMILESCCN(CC)CCC(Cc1nnn(C)n1)NC
InChIInChI=1S/C11H24N6/c1-5-17(6-2)8-7-10(12-3)9-11-13-15-16(4)14-11/h10,12H,5-9H2,1-4H3
InChIKeyPMXNTPWXCTXCLA-UHFFFAOYSA-N
XLogP0.07
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-3-N-methyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine?
The IUPAC name of 1-N,1-N-diethyl-3-N-methyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine (CID 107050035) is 1-N,1-N-diethyl-3-N-methyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-3-N-methyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine?
The canonical SMILES for 1-N,1-N-diethyl-3-N-methyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine is CCN(CC)CCC(Cc1nnn(C)n1)NC.
What is the InChIKey of 1-N,1-N-diethyl-3-N-methyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine?
The InChIKey is PMXNTPWXCTXCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N6/c1-5-17(6-2)8-7-10(12-3)9-11-13-15-16(4)14-11/h10,12H,5-9H2,1-4H3.
What are the key properties of 1-N,1-N-diethyl-3-N-methyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine?
1-N,1-N-diethyl-3-N-methyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine has a molecular weight of 240.35 g/mol, XLogP of 0.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-3-N-methyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine is sourced from PubChem (CID 107050035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).