2-(11-methyldodecylamino)guanidine

C14H32N4 — CID 11580168

IUPAC2-(11-methyldodecylamino)guanidine
SMILESCC(C)CCCCCCCCCCNN=C(N)N
InChIInChI=1S/C14H32N4/c1-13(2)11-9-7-5-3-4-6-8-10-12-17-18-14(15)16/h13,17H,3-12H2,1-2H3,(H4,15,16,18)
InChIKeyRQPFTBYFRWFRFR-UHFFFAOYSA-N
MW256.44 g/mol
LogP2.93
Rot. Bonds12

About 2-(11-methyldodecylamino)guanidine

2-(11-methyldodecylamino)guanidine (PubChem CID 11580168) has the molecular formula C14H32N4 and a molecular weight of 256.44 g/mol. Its IUPAC name is 2-(11-methyldodecylamino)guanidine.

Molecular Properties

Compound Name2-(11-methyldodecylamino)guanidine
PubChem CID11580168
Molecular FormulaC14H32N4
Molecular Weight256.44 g/mol
Exact Mass256.26
IUPAC Name2-(11-methyldodecylamino)guanidine
SMILESCC(C)CCCCCCCCCCNN=C(N)N
InChIInChI=1S/C14H32N4/c1-13(2)11-9-7-5-3-4-6-8-10-12-17-18-14(15)16/h13,17H,3-12H2,1-2H3,(H4,15,16,18)
InChIKeyRQPFTBYFRWFRFR-UHFFFAOYSA-N
XLogP2.93
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 52.93
H-Bond Donors ≤ 53
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(11-methyldodecylamino)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-methyl-N-oxidononan-1-amine
CID 170430879
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
N,6-dimethylheptan-1-amine;ethane
CID 169159475
8-methyl-N-(5-methylhex-1-en-2-yl)nonan-1-amine
CID 167085291
2-(5-methylhexylamino)acetamide
CID 115325450
6-(7-methyloctylamino)hexan-1-ol
CID 107814970
2-(6-methylheptylamino)ethanol
CID 23342125
1-ethyl-2-(7-methyloctyl)guanidine;hydroiodide
CID 111025048
N,5-dimethylhexan-1-amine;ethane
CID 142540507

Frequently Asked Questions

What is the IUPAC name of 2-(11-methyldodecylamino)guanidine?
The IUPAC name of 2-(11-methyldodecylamino)guanidine (CID 11580168) is 2-(11-methyldodecylamino)guanidine.
What is the SMILES notation for 2-(11-methyldodecylamino)guanidine?
The canonical SMILES for 2-(11-methyldodecylamino)guanidine is CC(C)CCCCCCCCCCNN=C(N)N.
What is the InChIKey of 2-(11-methyldodecylamino)guanidine?
The InChIKey is RQPFTBYFRWFRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4/c1-13(2)11-9-7-5-3-4-6-8-10-12-17-18-14(15)16/h13,17H,3-12H2,1-2H3,(H4,15,16,18).
What are the key properties of 2-(11-methyldodecylamino)guanidine?
2-(11-methyldodecylamino)guanidine has a molecular weight of 256.44 g/mol, XLogP of 2.93, 12 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11-methyldodecylamino)guanidine is sourced from PubChem (CID 11580168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).