1-dodecyl-1-pentylguanidine

C18H39N3 — CID 88762865

IUPAC1-dodecyl-1-pentylguanidine
SMILES[H]/N=C(\N)N(CCCCC)CCCCCCCCCCCC
InChIInChI=1S/C18H39N3/c1-3-5-7-8-9-10-11-12-13-15-17-21(18(19)20)16-14-6-4-2/h3-17H2,1-2H3,(H3,19,20)
InChIKeyJGABTZYQVMYIMT-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.29
Rot. Bonds15

About 1-dodecyl-1-pentylguanidine

1-dodecyl-1-pentylguanidine (PubChem CID 88762865) has the molecular formula C18H39N3 and a molecular weight of 297.53 g/mol. Its IUPAC name is 1-dodecyl-1-pentylguanidine.

Molecular Properties

Compound Name1-dodecyl-1-pentylguanidine
PubChem CID88762865
Molecular FormulaC18H39N3
Molecular Weight297.53 g/mol
Exact Mass297.31
IUPAC Name1-dodecyl-1-pentylguanidine
SMILES[H]/N=C(\N)N(CCCCC)CCCCCCCCCCCC
InChIInChI=1S/C18H39N3/c1-3-5-7-8-9-10-11-12-13-15-17-21(18(19)20)16-14-6-4-2/h3-17H2,1-2H3,(H3,19,20)
InChIKeyJGABTZYQVMYIMT-UHFFFAOYSA-N
XLogP5.29
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.29
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

1,1-didodecylguanidine
CID 23103902
acetic acid;1,1-dioctylguanidine
CID 71338115
sodium 2-[carbamimidoyl(tridecyl)amino]acetate
CID 25029236
1-amino-1-heptadecylguanidine
CID 141113274
1-amino-1-dodecylguanidine
CID 141286246
1-hexyl-1-(oxiran-2-ylmethyl)guanidine
CID 175326885
1,1-bis(11-methyldodecyl)guanidine
CID 19826644
CID 22121637
CID 22121637
acetic acid;1-dodecyl-1-methylguanidine
CID 23124067
2-carbamimidoyl-1,1-dihexylguanidine;hydrochloride
CID 176518115
1-carbamimidamidoguanidine;1-(diaminomethylideneamino)-1-dodecylguanidine
CID 176538170
1-butyl-1-hydroxyguanidine
CID 55288777

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-1-pentylguanidine?
The IUPAC name of 1-dodecyl-1-pentylguanidine (CID 88762865) is 1-dodecyl-1-pentylguanidine.
What is the SMILES notation for 1-dodecyl-1-pentylguanidine?
The canonical SMILES for 1-dodecyl-1-pentylguanidine is [H]/N=C(\N)N(CCCCC)CCCCCCCCCCCC.
What is the InChIKey of 1-dodecyl-1-pentylguanidine?
The InChIKey is JGABTZYQVMYIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3/c1-3-5-7-8-9-10-11-12-13-15-17-21(18(19)20)16-14-6-4-2/h3-17H2,1-2H3,(H3,19,20).
What are the key properties of 1-dodecyl-1-pentylguanidine?
1-dodecyl-1-pentylguanidine has a molecular weight of 297.53 g/mol, XLogP of 5.29, 15 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-1-pentylguanidine is sourced from PubChem (CID 88762865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).