potassium 3-methanidyl-3-methylpentan-1-amine

C7H16KN — CID 171657081

IUPACpotassium 3-methanidyl-3-methylpentan-1-amine
SMILES[CH2-]C(C)(CC)CCN.[K+]
InChIInChI=1S/C7H16N.K/c1-4-7(2,3)5-6-8;/h2,4-6,8H2,1,3H3;/q-1;+1
InChIKeyIBSPYLQQZWBMFI-UHFFFAOYSA-N
MW153.31 g/mol
LogP-1.41
Rot. Bonds3

About potassium 3-methanidyl-3-methylpentan-1-amine

potassium 3-methanidyl-3-methylpentan-1-amine (PubChem CID 171657081) has the molecular formula C7H16KN and a molecular weight of 153.31 g/mol. Its IUPAC name is potassium 3-methanidyl-3-methylpentan-1-amine.

Molecular Properties

Compound Namepotassium 3-methanidyl-3-methylpentan-1-amine
PubChem CID171657081
Molecular FormulaC7H16KN
Molecular Weight153.31 g/mol
Exact Mass153.09
IUPAC Namepotassium 3-methanidyl-3-methylpentan-1-amine
SMILES[CH2-]C(C)(CC)CCN.[K+]
InChIInChI=1S/C7H16N.K/c1-4-7(2,3)5-6-8;/h2,4-6,8H2,1,3H3;/q-1;+1
InChIKeyIBSPYLQQZWBMFI-UHFFFAOYSA-N
XLogP-1.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.31
LogP ≤ 5-1.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-methylpentan-3-ol
CID 54320456
3-ethylpentane-1,3-diamine
CID 22019015
4-amino-2-ethyl-2-methylbutan-1-ol
CID 105427654
3,3-difluoropentan-1-amine
CID 84762152
2,2-diethylbutane-1,4-diamine
CID 56990406
3,3-dimethylbutan-1-amine;hydroiodide
CID 173144991
3,3-dimethylbutan-1-amine;hydrobromide
CID 173119170
N-(aminomethyl)-N,2,2-trimethylbutane-1,4-diamine
CID 23568513
3,3-diethylhexane-1,6-diamine
CID 89464851
2-ethylbutane-1,2,4-triamine
CID 88635089
1,5-diamino-3-methylpentan-3-ol
CID 55289745
(3R)-3-[ethyl(methyl)boranyl]-3-methylpentan-1-amine
CID 163599046

Frequently Asked Questions

What is the IUPAC name of potassium 3-methanidyl-3-methylpentan-1-amine?
The IUPAC name of potassium 3-methanidyl-3-methylpentan-1-amine (CID 171657081) is potassium 3-methanidyl-3-methylpentan-1-amine.
What is the SMILES notation for potassium 3-methanidyl-3-methylpentan-1-amine?
The canonical SMILES for potassium 3-methanidyl-3-methylpentan-1-amine is [CH2-]C(C)(CC)CCN.[K+].
What is the InChIKey of potassium 3-methanidyl-3-methylpentan-1-amine?
The InChIKey is IBSPYLQQZWBMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N.K/c1-4-7(2,3)5-6-8;/h2,4-6,8H2,1,3H3;/q-1;+1.
What are the key properties of potassium 3-methanidyl-3-methylpentan-1-amine?
potassium 3-methanidyl-3-methylpentan-1-amine has a molecular weight of 153.31 g/mol, XLogP of -1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-methanidyl-3-methylpentan-1-amine is sourced from PubChem (CID 171657081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).