6-(3-methylbutan-2-yl)benzene-1,2,3,4,5-pentamine

C11H21N5 — CID 163725103

IUPAC6-(3-methylbutan-2-yl)benzene-1,2,3,4,5-pentamine
SMILESCC(C)C(C)c1c(N)c(N)c(N)c(N)c1N
InChIInChI=1S/C11H21N5/c1-4(2)5(3)6-7(12)9(14)11(16)10(15)8(6)13/h4-5H,12-16H2,1-3H3
InChIKeyKUWWDQJIVOLUTH-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.36
Rot. Bonds2

About 6-(3-methylbutan-2-yl)benzene-1,2,3,4,5-pentamine

6-(3-methylbutan-2-yl)benzene-1,2,3,4,5-pentamine (PubChem CID 163725103) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 6-(3-methylbutan-2-yl)benzene-1,2,3,4,5-pentamine.

Molecular Properties

Compound Name6-(3-methylbutan-2-yl)benzene-1,2,3,4,5-pentamine
PubChem CID163725103
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name6-(3-methylbutan-2-yl)benzene-1,2,3,4,5-pentamine
SMILESCC(C)C(C)c1c(N)c(N)c(N)c(N)c1N
InChIInChI=1S/C11H21N5/c1-4(2)5(3)6-7(12)9(14)11(16)10(15)8(6)13/h4-5H,12-16H2,1-3H3
InChIKeyKUWWDQJIVOLUTH-UHFFFAOYSA-N
XLogP1.36
TPSA130.10 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutan-2-yl)benzene-1,2,3,4,5-pentamine?
The IUPAC name of 6-(3-methylbutan-2-yl)benzene-1,2,3,4,5-pentamine (CID 163725103) is 6-(3-methylbutan-2-yl)benzene-1,2,3,4,5-pentamine.
What is the SMILES notation for 6-(3-methylbutan-2-yl)benzene-1,2,3,4,5-pentamine?
The canonical SMILES for 6-(3-methylbutan-2-yl)benzene-1,2,3,4,5-pentamine is CC(C)C(C)c1c(N)c(N)c(N)c(N)c1N.
What is the InChIKey of 6-(3-methylbutan-2-yl)benzene-1,2,3,4,5-pentamine?
The InChIKey is KUWWDQJIVOLUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-4(2)5(3)6-7(12)9(14)11(16)10(15)8(6)13/h4-5H,12-16H2,1-3H3.
What are the key properties of 6-(3-methylbutan-2-yl)benzene-1,2,3,4,5-pentamine?
6-(3-methylbutan-2-yl)benzene-1,2,3,4,5-pentamine has a molecular weight of 223.32 g/mol, XLogP of 1.36, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutan-2-yl)benzene-1,2,3,4,5-pentamine is sourced from PubChem (CID 163725103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).