2-[(5S)-5-butyldodecyl]guanidine

C17H37N3 — CID 155411805

IUPAC2-[(5S)-5-butyldodecyl]guanidine
SMILESCCCCCCC[C@H](CCCC)CCCCN=C(N)N
InChIInChI=1S/C17H37N3/c1-3-5-7-8-9-13-16(12-6-4-2)14-10-11-15-20-17(18)19/h16H,3-15H2,1-2H3,(H4,18,19,20)/t16-/m0/s1
InChIKeyUHYDVFTZCDHZTR-INIZCTEOSA-N
MW283.50 g/mol
LogP4.60
Rot. Bonds14

About 2-[(5S)-5-butyldodecyl]guanidine

2-[(5S)-5-butyldodecyl]guanidine (PubChem CID 155411805) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 2-[(5S)-5-butyldodecyl]guanidine.

Molecular Properties

Compound Name2-[(5S)-5-butyldodecyl]guanidine
PubChem CID155411805
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name2-[(5S)-5-butyldodecyl]guanidine
SMILESCCCCCCC[C@H](CCCC)CCCCN=C(N)N
InChIInChI=1S/C17H37N3/c1-3-5-7-8-9-13-16(12-6-4-2)14-10-11-15-20-17(18)19/h16H,3-15H2,1-2H3,(H4,18,19,20)/t16-/m0/s1
InChIKeyUHYDVFTZCDHZTR-INIZCTEOSA-N
XLogP4.60
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.60
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'}

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Related Compounds

2-(4-butyloctyl)guanidine
CID 167172231
2-(2-decyltetradecyl)guanidine
CID 88879989
2-(2-octyldodecyl)guanidine
CID 139725194
5-(diaminomethylideneamino)-N-(2-octyldecyl)pentanamide
CID 139836172
oxalic acid;2-tetradecylguanidine
CID 88685065
6-butylhenicosane
CID 91802566
16-butylhentriacontane
CID 91509035
13-butyldotriacontane
CID 91613083
14-butylheptatriacontane
CID 91361474
11-pentylheptacosane
CID 91575569
13-pentylheptacosane
CID 91387927
10-octylicosane
CID 20514731

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-5-butyldodecyl]guanidine?
The IUPAC name of 2-[(5S)-5-butyldodecyl]guanidine (CID 155411805) is 2-[(5S)-5-butyldodecyl]guanidine.
What is the SMILES notation for 2-[(5S)-5-butyldodecyl]guanidine?
The canonical SMILES for 2-[(5S)-5-butyldodecyl]guanidine is CCCCCCC[C@H](CCCC)CCCCN=C(N)N.
What is the InChIKey of 2-[(5S)-5-butyldodecyl]guanidine?
The InChIKey is UHYDVFTZCDHZTR-INIZCTEOSA-N. The full InChI is InChI=1S/C17H37N3/c1-3-5-7-8-9-13-16(12-6-4-2)14-10-11-15-20-17(18)19/h16H,3-15H2,1-2H3,(H4,18,19,20)/t16-/m0/s1.
What are the key properties of 2-[(5S)-5-butyldodecyl]guanidine?
2-[(5S)-5-butyldodecyl]guanidine has a molecular weight of 283.50 g/mol, XLogP of 4.60, 14 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-5-butyldodecyl]guanidine is sourced from PubChem (CID 155411805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).