2-(2,2,4,6-tetramethylheptyl)guanidine

C12H27N3 — CID 146262841

IUPAC2-(2,2,4,6-tetramethylheptyl)guanidine
SMILESCC(C)CC(C)CC(C)(C)CN=C(N)N
InChIInChI=1S/C12H27N3/c1-9(2)6-10(3)7-12(4,5)8-15-11(13)14/h9-10H,6-8H2,1-5H3,(H4,13,14,15)
InChIKeyKWMQWDNCAFDGQW-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.36
Rot. Bonds6

About 2-(2,2,4,6-tetramethylheptyl)guanidine

2-(2,2,4,6-tetramethylheptyl)guanidine (PubChem CID 146262841) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-(2,2,4,6-tetramethylheptyl)guanidine.

Molecular Properties

Compound Name2-(2,2,4,6-tetramethylheptyl)guanidine
PubChem CID146262841
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2-(2,2,4,6-tetramethylheptyl)guanidine
SMILESCC(C)CC(C)CC(C)(C)CN=C(N)N
InChIInChI=1S/C12H27N3/c1-9(2)6-10(3)7-12(4,5)8-15-11(13)14/h9-10H,6-8H2,1-5H3,(H4,13,14,15)
InChIKeyKWMQWDNCAFDGQW-UHFFFAOYSA-N
XLogP2.36
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

2,2,4,6-tetramethylheptan-1-ol
CID 156689267
2,4,6,8,10-pentamethylundecan-6-ol
CID 134857682
2-(4-hydroxy-2,2-dimethylbutyl)guanidine
CID 103711694
2,3,3,5,7-pentamethyloctane
CID 57491096
2,3,5,7-tetramethyl-3-propan-2-yloctane
CID 58719452
1-propyl-2-(2,2,4-trimethylpentyl)guanidine;hydroiodide
CID 111911367
2,2,4,8,10-pentamethylundecan-6-amine
CID 114201813
4,6,8-trimethylnonan-4-ol
CID 54063112
2-(1-hydroxy-4-methylpentan-2-yl)guanidine
CID 62358457
2-(2,2-dimethyl-3-phenylpropyl)guanidine;hydroiodide
CID 111425055
1-(diaminomethylidene)-2-(2-hydroxy-2,3-dimethylbutyl)guanidine
CID 130601326
(4S,7R)-4-amino-2,7,9-trimethyldecane-5-thione
CID 162112310

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,4,6-tetramethylheptyl)guanidine?
The IUPAC name of 2-(2,2,4,6-tetramethylheptyl)guanidine (CID 146262841) is 2-(2,2,4,6-tetramethylheptyl)guanidine.
What is the SMILES notation for 2-(2,2,4,6-tetramethylheptyl)guanidine?
The canonical SMILES for 2-(2,2,4,6-tetramethylheptyl)guanidine is CC(C)CC(C)CC(C)(C)CN=C(N)N.
What is the InChIKey of 2-(2,2,4,6-tetramethylheptyl)guanidine?
The InChIKey is KWMQWDNCAFDGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-9(2)6-10(3)7-12(4,5)8-15-11(13)14/h9-10H,6-8H2,1-5H3,(H4,13,14,15).
What are the key properties of 2-(2,2,4,6-tetramethylheptyl)guanidine?
2-(2,2,4,6-tetramethylheptyl)guanidine has a molecular weight of 213.37 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,4,6-tetramethylheptyl)guanidine is sourced from PubChem (CID 146262841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).