2-[(4-octan-2-ylcyclohexyl)methyl]guanidine

C16H33N3 — CID 21470539

IUPAC2-[(4-octan-2-ylcyclohexyl)methyl]guanidine
SMILESCCCCCCC(C)C1CCC(CN=C(N)N)CC1
InChIInChI=1S/C16H33N3/c1-3-4-5-6-7-13(2)15-10-8-14(9-11-15)12-19-16(17)18/h13-15H,3-12H2,1-2H3,(H4,17,18,19)
InChIKeyTZPMZBGZJHCARD-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.67
Rot. Bonds8

About 2-[(4-octan-2-ylcyclohexyl)methyl]guanidine

2-[(4-octan-2-ylcyclohexyl)methyl]guanidine (PubChem CID 21470539) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-[(4-octan-2-ylcyclohexyl)methyl]guanidine.

Molecular Properties

Compound Name2-[(4-octan-2-ylcyclohexyl)methyl]guanidine
PubChem CID21470539
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2-[(4-octan-2-ylcyclohexyl)methyl]guanidine
SMILESCCCCCCC(C)C1CCC(CN=C(N)N)CC1
InChIInChI=1S/C16H33N3/c1-3-4-5-6-7-13(2)15-10-8-14(9-11-15)12-19-16(17)18/h13-15H,3-12H2,1-2H3,(H4,17,18,19)
InChIKeyTZPMZBGZJHCARD-UHFFFAOYSA-N
XLogP3.67
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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'}

Analyze 2-[(4-octan-2-ylcyclohexyl)methyl]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

octan-2-ylcyclopropane
CID 18968125
4-heptan-2-ylpiperidine
CID 143122379
(4-pentylcyclohexyl) 4-octan-2-ylcyclohexane-1-carboxylate
CID 154620120
2-methyltridecylcyclopropane
CID 123424034
2-(cyclopropylmethyl)-1-ethyl-3-heptan-2-ylguanidine;hydroiodide
CID 111195113
1-(bromomethyl)-4-pentan-2-ylcyclohexane
CID 163505099
2-(2-decyltetradecyl)guanidine
CID 88879989
2-(2-octyldodecyl)guanidine
CID 139725194
1-(4-ethylcyclohexyl)undecan-1-amine
CID 65394557
1-cyclopentyl-3-(4-heptan-2-ylcyclohexyl)cyclohexane
CID 163605877
4-(4-pentylcyclohexyl)pentyl 4-butylcyclohexane-1-carboxylate
CID 23334914
1-cyclopropyltetradecan-1-ol
CID 63461268

Frequently Asked Questions

What is the IUPAC name of 2-[(4-octan-2-ylcyclohexyl)methyl]guanidine?
The IUPAC name of 2-[(4-octan-2-ylcyclohexyl)methyl]guanidine (CID 21470539) is 2-[(4-octan-2-ylcyclohexyl)methyl]guanidine.
What is the SMILES notation for 2-[(4-octan-2-ylcyclohexyl)methyl]guanidine?
The canonical SMILES for 2-[(4-octan-2-ylcyclohexyl)methyl]guanidine is CCCCCCC(C)C1CCC(CN=C(N)N)CC1.
What is the InChIKey of 2-[(4-octan-2-ylcyclohexyl)methyl]guanidine?
The InChIKey is TZPMZBGZJHCARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-3-4-5-6-7-13(2)15-10-8-14(9-11-15)12-19-16(17)18/h13-15H,3-12H2,1-2H3,(H4,17,18,19).
What are the key properties of 2-[(4-octan-2-ylcyclohexyl)methyl]guanidine?
2-[(4-octan-2-ylcyclohexyl)methyl]guanidine has a molecular weight of 267.46 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-octan-2-ylcyclohexyl)methyl]guanidine is sourced from PubChem (CID 21470539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).