2-[(2R)-2-amino-4-hexyl-3-oxodecyl]guanidine

C17H36N4O — CID 170092776

IUPAC2-[(2R)-2-amino-4-hexyl-3-oxodecyl]guanidine
SMILESCCCCCCC(CCCCCC)C(=O)[C@H](N)CN=C(N)N
InChIInChI=1S/C17H36N4O/c1-3-5-7-9-11-14(12-10-8-6-4-2)16(22)15(18)13-21-17(19)20/h14-15H,3-13,18H2,1-2H3,(H4,19,20,21)/t15-/m1/s1
InChIKeyASNXNTXQSYBPTF-OAHLLOKOSA-N
MW312.50 g/mol
LogP2.71
Rot. Bonds14

About 2-[(2R)-2-amino-4-hexyl-3-oxodecyl]guanidine

2-[(2R)-2-amino-4-hexyl-3-oxodecyl]guanidine (PubChem CID 170092776) has the molecular formula C17H36N4O and a molecular weight of 312.50 g/mol. Its IUPAC name is 2-[(2R)-2-amino-4-hexyl-3-oxodecyl]guanidine.

Molecular Properties

Compound Name2-[(2R)-2-amino-4-hexyl-3-oxodecyl]guanidine
PubChem CID170092776
Molecular FormulaC17H36N4O
Molecular Weight312.50 g/mol
Exact Mass312.29
IUPAC Name2-[(2R)-2-amino-4-hexyl-3-oxodecyl]guanidine
SMILESCCCCCCC(CCCCCC)C(=O)[C@H](N)CN=C(N)N
InChIInChI=1S/C17H36N4O/c1-3-5-7-9-11-14(12-10-8-6-4-2)16(22)15(18)13-21-17(19)20/h14-15H,3-13,18H2,1-2H3,(H4,19,20,21)/t15-/m1/s1
InChIKeyASNXNTXQSYBPTF-OAHLLOKOSA-N
XLogP2.71
TPSA107.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(2R)-2-amino-4-hexyl-3-oxodecyl]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

2-[(diaminomethylideneamino)methyl]tridecanoic acid
CID 87851265
2-[(diaminomethylideneamino)methyl]nonadecanoic acid
CID 87851261
3-amino-5-tetradecylhenicosan-4-one
CID 18787701
22,24-di(henicosyl)pentatetracontan-23-one
CID 174350862
9,11-dipentylnonadecan-10-one
CID 174915946
11,13-diheptyltricosan-12-one
CID 175328104
2-(2-decyltetradecyl)guanidine
CID 88879989
2-(2-octyldodecyl)guanidine
CID 139725194
2-hexyloctanamide
CID 87302701
2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
CID 175503182
4-butyl-2-methyldecan-3-one
CID 130218662

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-amino-4-hexyl-3-oxodecyl]guanidine?
The IUPAC name of 2-[(2R)-2-amino-4-hexyl-3-oxodecyl]guanidine (CID 170092776) is 2-[(2R)-2-amino-4-hexyl-3-oxodecyl]guanidine.
What is the SMILES notation for 2-[(2R)-2-amino-4-hexyl-3-oxodecyl]guanidine?
The canonical SMILES for 2-[(2R)-2-amino-4-hexyl-3-oxodecyl]guanidine is CCCCCCC(CCCCCC)C(=O)[C@H](N)CN=C(N)N.
What is the InChIKey of 2-[(2R)-2-amino-4-hexyl-3-oxodecyl]guanidine?
The InChIKey is ASNXNTXQSYBPTF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H36N4O/c1-3-5-7-9-11-14(12-10-8-6-4-2)16(22)15(18)13-21-17(19)20/h14-15H,3-13,18H2,1-2H3,(H4,19,20,21)/t15-/m1/s1.
What are the key properties of 2-[(2R)-2-amino-4-hexyl-3-oxodecyl]guanidine?
2-[(2R)-2-amino-4-hexyl-3-oxodecyl]guanidine has a molecular weight of 312.50 g/mol, XLogP of 2.71, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-amino-4-hexyl-3-oxodecyl]guanidine is sourced from PubChem (CID 170092776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).