1-butyl-2,3-dicyclohexyl-1,3-dimethylguanidine

C19H37N3 — CID 58516527

IUPAC1-butyl-2,3-dicyclohexyl-1,3-dimethylguanidine
SMILESCCCCN(C)/C(=N\C1CCCCC1)N(C)C1CCCCC1
InChIInChI=1S/C19H37N3/c1-4-5-16-21(2)19(20-17-12-8-6-9-13-17)22(3)18-14-10-7-11-15-18/h17-18H,4-16H2,1-3H3/b20-19+
InChIKeyCUCAXRWKWDHQST-FMQUCBEESA-N
MW307.53 g/mol
LogP4.67
Rot. Bonds5

About 1-butyl-2,3-dicyclohexyl-1,3-dimethylguanidine

1-butyl-2,3-dicyclohexyl-1,3-dimethylguanidine (PubChem CID 58516527) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is 1-butyl-2,3-dicyclohexyl-1,3-dimethylguanidine.

Molecular Properties

Compound Name1-butyl-2,3-dicyclohexyl-1,3-dimethylguanidine
PubChem CID58516527
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC Name1-butyl-2,3-dicyclohexyl-1,3-dimethylguanidine
SMILESCCCCN(C)/C(=N\C1CCCCC1)N(C)C1CCCCC1
InChIInChI=1S/C19H37N3/c1-4-5-16-21(2)19(20-17-12-8-6-9-13-17)22(3)18-14-10-7-11-15-18/h17-18H,4-16H2,1-3H3/b20-19+
InChIKeyCUCAXRWKWDHQST-FMQUCBEESA-N
XLogP4.67
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 54.67
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2,3-dicyclohexyl-1,3-dimethylguanidine?
The IUPAC name of 1-butyl-2,3-dicyclohexyl-1,3-dimethylguanidine (CID 58516527) is 1-butyl-2,3-dicyclohexyl-1,3-dimethylguanidine.
What is the SMILES notation for 1-butyl-2,3-dicyclohexyl-1,3-dimethylguanidine?
The canonical SMILES for 1-butyl-2,3-dicyclohexyl-1,3-dimethylguanidine is CCCCN(C)/C(=N\C1CCCCC1)N(C)C1CCCCC1.
What is the InChIKey of 1-butyl-2,3-dicyclohexyl-1,3-dimethylguanidine?
The InChIKey is CUCAXRWKWDHQST-FMQUCBEESA-N. The full InChI is InChI=1S/C19H37N3/c1-4-5-16-21(2)19(20-17-12-8-6-9-13-17)22(3)18-14-10-7-11-15-18/h17-18H,4-16H2,1-3H3/b20-19+.
What are the key properties of 1-butyl-2,3-dicyclohexyl-1,3-dimethylguanidine?
1-butyl-2,3-dicyclohexyl-1,3-dimethylguanidine has a molecular weight of 307.53 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,3-dicyclohexyl-1,3-dimethylguanidine is sourced from PubChem (CID 58516527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).