N'-methyl-N-(1-methyltetrazol-5-yl)-N'-propan-2-ylbutane-1,4-diamine

C10H22N6 — CID 63150397

IUPACN'-methyl-N-(1-methyltetrazol-5-yl)-N'-propan-2-ylbutane-1,4-diamine
SMILESCC(C)N(C)CCCCNc1nnnn1C
InChIInChI=1S/C10H22N6/c1-9(2)15(3)8-6-5-7-11-10-12-13-14-16(10)4/h9H,5-8H2,1-4H3,(H,11,12,14)
InChIKeyHFYMZJNFENKDIG-UHFFFAOYSA-N
MW226.33 g/mol
LogP0.74
Rot. Bonds7

About N'-methyl-N-(1-methyltetrazol-5-yl)-N'-propan-2-ylbutane-1,4-diamine

N'-methyl-N-(1-methyltetrazol-5-yl)-N'-propan-2-ylbutane-1,4-diamine (PubChem CID 63150397) has the molecular formula C10H22N6 and a molecular weight of 226.33 g/mol. Its IUPAC name is N'-methyl-N-(1-methyltetrazol-5-yl)-N'-propan-2-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N-(1-methyltetrazol-5-yl)-N'-propan-2-ylbutane-1,4-diamine
PubChem CID63150397
Molecular FormulaC10H22N6
Molecular Weight226.33 g/mol
Exact Mass226.19
IUPAC NameN'-methyl-N-(1-methyltetrazol-5-yl)-N'-propan-2-ylbutane-1,4-diamine
SMILESCC(C)N(C)CCCCNc1nnnn1C
InChIInChI=1S/C10H22N6/c1-9(2)15(3)8-6-5-7-11-10-12-13-14-16(10)4/h9H,5-8H2,1-4H3,(H,11,12,14)
InChIKeyHFYMZJNFENKDIG-UHFFFAOYSA-N
XLogP0.74
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 50.74
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'-methyl-N-(1-methyltetrazol-5-yl)-N'-propan-2-ylbutane-1,4-diamine?
The IUPAC name of N'-methyl-N-(1-methyltetrazol-5-yl)-N'-propan-2-ylbutane-1,4-diamine (CID 63150397) is N'-methyl-N-(1-methyltetrazol-5-yl)-N'-propan-2-ylbutane-1,4-diamine.
What is the SMILES notation for N'-methyl-N-(1-methyltetrazol-5-yl)-N'-propan-2-ylbutane-1,4-diamine?
The canonical SMILES for N'-methyl-N-(1-methyltetrazol-5-yl)-N'-propan-2-ylbutane-1,4-diamine is CC(C)N(C)CCCCNc1nnnn1C.
What is the InChIKey of N'-methyl-N-(1-methyltetrazol-5-yl)-N'-propan-2-ylbutane-1,4-diamine?
The InChIKey is HFYMZJNFENKDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N6/c1-9(2)15(3)8-6-5-7-11-10-12-13-14-16(10)4/h9H,5-8H2,1-4H3,(H,11,12,14).
What are the key properties of N'-methyl-N-(1-methyltetrazol-5-yl)-N'-propan-2-ylbutane-1,4-diamine?
N'-methyl-N-(1-methyltetrazol-5-yl)-N'-propan-2-ylbutane-1,4-diamine has a molecular weight of 226.33 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(1-methyltetrazol-5-yl)-N'-propan-2-ylbutane-1,4-diamine is sourced from PubChem (CID 63150397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).