4-methylpentylazanium

C6H16N+ — CID 22348722

IUPAC4-methylpentylazanium
SMILESCC(C)CCC[NH3+]
InChIInChI=1S/C6H15N/c1-6(2)4-3-5-7/h6H,3-5,7H2,1-2H3/p+1
InChIKeyQVIAMKXOQGCYCV-UHFFFAOYSA-O
MW102.20 g/mol
LogP0.66
Rot. Bonds3

About 4-methylpentylazanium

4-methylpentylazanium (PubChem CID 22348722) has the molecular formula C6H16N+ and a molecular weight of 102.20 g/mol. Its IUPAC name is 4-methylpentylazanium.

Molecular Properties

Compound Name4-methylpentylazanium
PubChem CID22348722
Molecular FormulaC6H16N+
Molecular Weight102.20 g/mol
Exact Mass102.13
IUPAC Name4-methylpentylazanium
SMILESCC(C)CCC[NH3+]
InChIInChI=1S/C6H15N/c1-6(2)4-3-5-7/h6H,3-5,7H2,1-2H3/p+1
InChIKeyQVIAMKXOQGCYCV-UHFFFAOYSA-O
XLogP0.66
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.20
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-Dimethylamylamine
CID 7753
2-Ethylhexylamine
CID 7719
1,3-Dimethylbutylamine
CID 7908
2-Methylpentanediamine
CID 85862
5-Methyl-2-hexylamine
CID 34204
2-Ethyl butylamine
CID 12049
Isohexylamine
CID 219608
3-Pentanamine, 2,4-dimethyl-
CID 77702
(2R)-4-methylpentan-2-amine
CID 642324
1-Pentanamine, 2-methyl-
CID 99014
3-Methyl-2-hexanamine
CID 118232
(3-Methylpentyl)Amine
CID 3055957

Frequently Asked Questions

What is the IUPAC name of 4-methylpentylazanium?
The IUPAC name of 4-methylpentylazanium (CID 22348722) is 4-methylpentylazanium.
What is the SMILES notation for 4-methylpentylazanium?
The canonical SMILES for 4-methylpentylazanium is CC(C)CCC[NH3+].
What is the InChIKey of 4-methylpentylazanium?
The InChIKey is QVIAMKXOQGCYCV-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H15N/c1-6(2)4-3-5-7/h6H,3-5,7H2,1-2H3/p+1.
What are the key properties of 4-methylpentylazanium?
4-methylpentylazanium has a molecular weight of 102.20 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentylazanium is sourced from PubChem (CID 22348722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).