2-(azocan-1-ylmethyl)guanidine

C9H20N4 — CID 154301766

IUPAC2-(azocan-1-ylmethyl)guanidine
SMILESNC(N)=NCN1CCCCCCC1
InChIInChI=1S/C9H20N4/c10-9(11)12-8-13-6-4-2-1-3-5-7-13/h1-8H2,(H4,10,11,12)
InChIKeyCBOGKHKHATWFOM-UHFFFAOYSA-N
MW184.29 g/mol
LogP0.48
Rot. Bonds2

About 2-(azocan-1-ylmethyl)guanidine

2-(azocan-1-ylmethyl)guanidine (PubChem CID 154301766) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 2-(azocan-1-ylmethyl)guanidine.

Molecular Properties

Compound Name2-(azocan-1-ylmethyl)guanidine
PubChem CID154301766
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name2-(azocan-1-ylmethyl)guanidine
SMILESNC(N)=NCN1CCCCCCC1
InChIInChI=1S/C9H20N4/c10-9(11)12-8-13-6-4-2-1-3-5-7-13/h1-8H2,(H4,10,11,12)
InChIKeyCBOGKHKHATWFOM-UHFFFAOYSA-N
XLogP0.48
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Guanethidine
CID 3518
Guanidine, (2-(hexahydro-1(2H)-azocinyl)ethyl)-, monohydrochloride
CID 88123
Azocane-1-carboximidamide
CID 43211921
N'-propan-2-ylazocane-1-carboximidamide
CID 57837434
N'-methylazocane-1-carboximidamide
CID 62359325
N'-ethylazocane-1-carboximidamide
CID 62361039
2-[2-(Azocan-1-yl)ethyl]guanidine;guanidine
CID 90000500
2-(Azocan-2-yl)guanidine
CID 129929071
Azocan-1-ylmethanamine
CID 134408460
2-[2-(Azocan-1-yl)ethyl]-1-sulfanylguanidine
CID 153512532
2-[2-(Azocan-1-yl)ethyl]guanidine;sulfane
CID 154944449
2-[2-(Azocan-1-yl)ethyl]guanidine;hydron;sulfide
CID 173867160

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-ylmethyl)guanidine?
The IUPAC name of 2-(azocan-1-ylmethyl)guanidine (CID 154301766) is 2-(azocan-1-ylmethyl)guanidine.
What is the SMILES notation for 2-(azocan-1-ylmethyl)guanidine?
The canonical SMILES for 2-(azocan-1-ylmethyl)guanidine is NC(N)=NCN1CCCCCCC1.
What is the InChIKey of 2-(azocan-1-ylmethyl)guanidine?
The InChIKey is CBOGKHKHATWFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c10-9(11)12-8-13-6-4-2-1-3-5-7-13/h1-8H2,(H4,10,11,12).
What are the key properties of 2-(azocan-1-ylmethyl)guanidine?
2-(azocan-1-ylmethyl)guanidine has a molecular weight of 184.29 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-ylmethyl)guanidine is sourced from PubChem (CID 154301766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).