N-methylbutan-1-amine;4-(tetrazol-1-yl)butan-1-amine

C10H24N6 — CID 175210231

IUPACN-methylbutan-1-amine;4-(tetrazol-1-yl)butan-1-amine
SMILESCCCCNC.NCCCCn1cnnn1
InChIInChI=1S/C5H11N5.C5H13N/c6-3-1-2-4-10-5-7-8-9-10;1-3-4-5-6-2/h5H,1-4,6H2;6H,3-5H2,1-2H3
InChIKeyAZIRGKAQKGHTAT-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.42
Rot. Bonds7

About N-methylbutan-1-amine;4-(tetrazol-1-yl)butan-1-amine

N-methylbutan-1-amine;4-(tetrazol-1-yl)butan-1-amine (PubChem CID 175210231) has the molecular formula C10H24N6 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-methylbutan-1-amine;4-(tetrazol-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-methylbutan-1-amine;4-(tetrazol-1-yl)butan-1-amine
PubChem CID175210231
Molecular FormulaC10H24N6
Molecular Weight228.34 g/mol
Exact Mass228.21
IUPAC NameN-methylbutan-1-amine;4-(tetrazol-1-yl)butan-1-amine
SMILESCCCCNC.NCCCCn1cnnn1
InChIInChI=1S/C5H11N5.C5H13N/c6-3-1-2-4-10-5-7-8-9-10;1-3-4-5-6-2/h5H,1-4,6H2;6H,3-5H2,1-2H3
InChIKeyAZIRGKAQKGHTAT-UHFFFAOYSA-N
XLogP0.42
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methylbutan-1-amine
CID 8068
ethane;N-methylbutan-1-amine;propane
CID 142092371
1-(3-methylbutyl)tetrazole
CID 23273423
4-(triazol-1-yl)butan-1-amine
CID 75355685
4-(1-hexyltriazol-4-yl)butan-1-amine
CID 104539137
4-(1-heptyltriazol-4-yl)butan-1-amine
CID 104539279
4-(1-nonyltriazol-4-yl)butan-1-amine
CID 104539136
N-methylbutan-1-amine;methylsulfanylethane
CID 153330629
5-aminopentylcarbamic acid;N-methylhexan-1-amine;hydrate
CID 159293872
ethyl 2-(tetrazol-1-yl)ethyl carbonate
CID 22074831
ethane;N-methylbutan-1-amine;N-methylethanamine
CID 162138927
N'-butyloctadecane-1,18-diamine
CID 19427141

Frequently Asked Questions

What is the IUPAC name of N-methylbutan-1-amine;4-(tetrazol-1-yl)butan-1-amine?
The IUPAC name of N-methylbutan-1-amine;4-(tetrazol-1-yl)butan-1-amine (CID 175210231) is N-methylbutan-1-amine;4-(tetrazol-1-yl)butan-1-amine.
What is the SMILES notation for N-methylbutan-1-amine;4-(tetrazol-1-yl)butan-1-amine?
The canonical SMILES for N-methylbutan-1-amine;4-(tetrazol-1-yl)butan-1-amine is CCCCNC.NCCCCn1cnnn1.
What is the InChIKey of N-methylbutan-1-amine;4-(tetrazol-1-yl)butan-1-amine?
The InChIKey is AZIRGKAQKGHTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5.C5H13N/c6-3-1-2-4-10-5-7-8-9-10;1-3-4-5-6-2/h5H,1-4,6H2;6H,3-5H2,1-2H3.
What are the key properties of N-methylbutan-1-amine;4-(tetrazol-1-yl)butan-1-amine?
N-methylbutan-1-amine;4-(tetrazol-1-yl)butan-1-amine has a molecular weight of 228.34 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylbutan-1-amine;4-(tetrazol-1-yl)butan-1-amine is sourced from PubChem (CID 175210231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).