2-(cyclohexylamino)ethyl-methanidylazanium

C9H20N2 — CID 88554107

IUPAC2-(cyclohexylamino)ethyl-methanidylazanium
SMILES[CH2-][NH2+]CCNC1CCCCC1
InChIInChI=1S/C9H20N2/c1-10-7-8-11-9-5-3-2-4-6-9/h9,11H,1-8,10H2
InChIKeyTWCYUPPZXACCSX-UHFFFAOYSA-N
MW156.27 g/mol
LogP0.26
Rot. Bonds4

About 2-(cyclohexylamino)ethyl-methanidylazanium

2-(cyclohexylamino)ethyl-methanidylazanium (PubChem CID 88554107) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-(cyclohexylamino)ethyl-methanidylazanium.

Molecular Properties

Compound Name2-(cyclohexylamino)ethyl-methanidylazanium
PubChem CID88554107
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name2-(cyclohexylamino)ethyl-methanidylazanium
SMILES[CH2-][NH2+]CCNC1CCCCC1
InChIInChI=1S/C9H20N2/c1-10-7-8-11-9-5-3-2-4-6-9/h9,11H,1-8,10H2
InChIKeyTWCYUPPZXACCSX-UHFFFAOYSA-N
XLogP0.26
TPSA28.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine
CID 23423562
N'-cycloundecylethane-1,2-diamine
CID 166845791
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
N-(2-chloroethyl)cyclooctanamine
CID 18316363
N-(2-cycloundecylethyl)cyclodecanamine
CID 155180877
N-(2-cycloheptylethyl)cyclopentanamine
CID 114457795
azane;N-propylcyclohexanamine
CID 19368218
N-propylcyclohexanamine;hydrochloride
CID 17370003
N'-cyclopentylethane-1,2-diamine;dihydrochloride
CID 154725501
N-(3-methylsulfanylpropyl)cyclohexanamine
CID 28609981
N-(2-hydroxysulfanylethyl)cyclohexanamine
CID 151667244
N-(2-methoxyethyl)cycloheptanamine
CID 22484521

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)ethyl-methanidylazanium?
The IUPAC name of 2-(cyclohexylamino)ethyl-methanidylazanium (CID 88554107) is 2-(cyclohexylamino)ethyl-methanidylazanium.
What is the SMILES notation for 2-(cyclohexylamino)ethyl-methanidylazanium?
The canonical SMILES for 2-(cyclohexylamino)ethyl-methanidylazanium is [CH2-][NH2+]CCNC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)ethyl-methanidylazanium?
The InChIKey is TWCYUPPZXACCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-10-7-8-11-9-5-3-2-4-6-9/h9,11H,1-8,10H2.
What are the key properties of 2-(cyclohexylamino)ethyl-methanidylazanium?
2-(cyclohexylamino)ethyl-methanidylazanium has a molecular weight of 156.27 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)ethyl-methanidylazanium is sourced from PubChem (CID 88554107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).