dodecan-1-amine;guanidine

C13H32N4 — CID 172680887

IUPACdodecan-1-amine;guanidine
SMILESCCCCCCCCCCCCN.[H]N=C(N)N
InChIInChI=1S/C12H27N.CH5N3/c1-2-3-4-5-6-7-8-9-10-11-12-13;2-1(3)4/h2-13H2,1H3;(H5,2,3,4)
InChIKeyAJMWTWFMFUMRMZ-UHFFFAOYSA-N
MW244.43 g/mol
LogP2.70
Rot. Bonds10

About dodecan-1-amine;guanidine

dodecan-1-amine;guanidine (PubChem CID 172680887) has the molecular formula C13H32N4 and a molecular weight of 244.43 g/mol. Its IUPAC name is dodecan-1-amine;guanidine.

Molecular Properties

Compound Namedodecan-1-amine;guanidine
PubChem CID172680887
Molecular FormulaC13H32N4
Molecular Weight244.43 g/mol
Exact Mass244.26
IUPAC Namedodecan-1-amine;guanidine
SMILESCCCCCCCCCCCCN.[H]N=C(N)N
InChIInChI=1S/C12H27N.CH5N3/c1-2-3-4-5-6-7-8-9-10-11-12-13;2-1(3)4/h2-13H2,1H3;(H5,2,3,4)
InChIKeyAJMWTWFMFUMRMZ-UHFFFAOYSA-N
XLogP2.70
TPSA101.91 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 52.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dodecan-1-amine;hydroxylamine
CID 175960605
butane-1,4-diamine;hexan-1-amine
CID 162097736
tridecan-1-amine;undecan-1-amine
CID 23045943
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
octadecan-1-amine;titanium
CID 174493472
tetracosan-1-amine;hydrobromide
CID 175600580
decane;decane-1,10-diamine;methanediamine
CID 158649191
azane;hexadecan-1-amine
CID 19891859
octadecan-1-amine;trihydrochloride
CID 175177898
nonan-1-amine;dihydrate
CID 174770026

Frequently Asked Questions

What is the IUPAC name of dodecan-1-amine;guanidine?
The IUPAC name of dodecan-1-amine;guanidine (CID 172680887) is dodecan-1-amine;guanidine.
What is the SMILES notation for dodecan-1-amine;guanidine?
The canonical SMILES for dodecan-1-amine;guanidine is CCCCCCCCCCCCN.[H]N=C(N)N.
What is the InChIKey of dodecan-1-amine;guanidine?
The InChIKey is AJMWTWFMFUMRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.CH5N3/c1-2-3-4-5-6-7-8-9-10-11-12-13;2-1(3)4/h2-13H2,1H3;(H5,2,3,4).
What are the key properties of dodecan-1-amine;guanidine?
dodecan-1-amine;guanidine has a molecular weight of 244.43 g/mol, XLogP of 2.70, 10 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-1-amine;guanidine is sourced from PubChem (CID 172680887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).