potassium;carbanide;3-ethylcyclohexan-1-amine;(3-methanidylcyclohexyl)methanamine

C17H36KN2- — CID 177154465

IUPACpotassium;carbanide;3-ethylcyclohexan-1-amine;(3-methanidylcyclohexyl)methanamine
SMILESCCC1CCCC(N)C1.[CH2-]C1CCCC(CN)C1.[CH3-].[K+]
InChIInChI=1S/C8H16N.C8H17N.CH3.K/c1-7-3-2-4-8(5-7)6-9;1-2-7-4-3-5-8(9)6-7;;/h7-8H,1-6,9H2;7-8H,2-6,9H2,1H3;1H3;/q-1;;-1;+1
InChIKeyAJIMJNQNAQWOPY-UHFFFAOYSA-N
MW307.59 g/mol
LogP0.95
Rot. Bonds2

About potassium;carbanide;3-ethylcyclohexan-1-amine;(3-methanidylcyclohexyl)methanamine

potassium;carbanide;3-ethylcyclohexan-1-amine;(3-methanidylcyclohexyl)methanamine (PubChem CID 177154465) has the molecular formula C17H36KN2- and a molecular weight of 307.59 g/mol. Its IUPAC name is potassium;carbanide;3-ethylcyclohexan-1-amine;(3-methanidylcyclohexyl)methanamine.

Molecular Properties

Compound Namepotassium;carbanide;3-ethylcyclohexan-1-amine;(3-methanidylcyclohexyl)methanamine
PubChem CID177154465
Molecular FormulaC17H36KN2-
Molecular Weight307.59 g/mol
Exact Mass307.25
IUPAC Namepotassium;carbanide;3-ethylcyclohexan-1-amine;(3-methanidylcyclohexyl)methanamine
SMILESCCC1CCCC(N)C1.[CH2-]C1CCCC(CN)C1.[CH3-].[K+]
InChIInChI=1S/C8H16N.C8H17N.CH3.K/c1-7-3-2-4-8(5-7)6-9;1-2-7-4-3-5-8(9)6-7;;/h7-8H,1-6,9H2;7-8H,2-6,9H2,1H3;1H3;/q-1;;-1;+1
InChIKeyAJIMJNQNAQWOPY-UHFFFAOYSA-N
XLogP0.95
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.59
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-ethylcyclohexan-1-amine
CID 164855900
3-ethylcyclooctan-1-amine
CID 126707955
[(1S)-3-ethylcyclopentyl]methanamine
CID 149108624
[(1S,3R)-3-ethylcyclopentyl]methanamine;[(1S,3S)-3-ethylcyclopentyl]methanamine
CID 161132665
3-(3-ethylcyclohexyl)cyclohexan-1-amine
CID 64503181
[(1S,3S)-3-(aminomethyl)cyclohexyl]methanamine
CID 6951512
(5S)-5-ethylcyclononan-1-amine
CID 163875041
1-ethyl-3-methanidylcyclobutane
CID 90731604
ethylcyclobutane;methanamine
CID 175532329
(3-methylcyclohexyl)methanamine
CID 18361468
3-N-(3-ethylcyclohexyl)cyclopentane-1,3-diamine
CID 79461810
2-amino-1-(3-ethylcyclohexyl)ethanone
CID 116548368

Frequently Asked Questions

What is the IUPAC name of potassium;carbanide;3-ethylcyclohexan-1-amine;(3-methanidylcyclohexyl)methanamine?
The IUPAC name of potassium;carbanide;3-ethylcyclohexan-1-amine;(3-methanidylcyclohexyl)methanamine (CID 177154465) is potassium;carbanide;3-ethylcyclohexan-1-amine;(3-methanidylcyclohexyl)methanamine.
What is the SMILES notation for potassium;carbanide;3-ethylcyclohexan-1-amine;(3-methanidylcyclohexyl)methanamine?
The canonical SMILES for potassium;carbanide;3-ethylcyclohexan-1-amine;(3-methanidylcyclohexyl)methanamine is CCC1CCCC(N)C1.[CH2-]C1CCCC(CN)C1.[CH3-].[K+].
What is the InChIKey of potassium;carbanide;3-ethylcyclohexan-1-amine;(3-methanidylcyclohexyl)methanamine?
The InChIKey is AJIMJNQNAQWOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N.C8H17N.CH3.K/c1-7-3-2-4-8(5-7)6-9;1-2-7-4-3-5-8(9)6-7;;/h7-8H,1-6,9H2;7-8H,2-6,9H2,1H3;1H3;/q-1;;-1;+1.
What are the key properties of potassium;carbanide;3-ethylcyclohexan-1-amine;(3-methanidylcyclohexyl)methanamine?
potassium;carbanide;3-ethylcyclohexan-1-amine;(3-methanidylcyclohexyl)methanamine has a molecular weight of 307.59 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;carbanide;3-ethylcyclohexan-1-amine;(3-methanidylcyclohexyl)methanamine is sourced from PubChem (CID 177154465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).