3-(diaminomethylidene)-1,1-dimethylguanidine;2-(2,2-dicyclohexylethyl)piperidine

C23H46N6 — CID 91885566

IUPAC3-(diaminomethylidene)-1,1-dimethylguanidine;2-(2,2-dicyclohexylethyl)piperidine
SMILESC1CCC(C(CC2CCCCN2)C2CCCCC2)CC1.[H]/N=C(/N=C(N)N)N(C)C
InChIInChI=1S/C19H35N.C4H11N5/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18;1-9(2)4(7)8-3(5)6/h16-20H,1-15H2;1-2H3,(H5,5,6,7,8)
InChIKeyPJXCRFHKHNYYQE-UHFFFAOYSA-N
MW406.66 g/mol
LogP4.05
Rot. Bonds4

About 3-(diaminomethylidene)-1,1-dimethylguanidine;2-(2,2-dicyclohexylethyl)piperidine

3-(diaminomethylidene)-1,1-dimethylguanidine;2-(2,2-dicyclohexylethyl)piperidine (PubChem CID 91885566) has the molecular formula C23H46N6 and a molecular weight of 406.66 g/mol. Its IUPAC name is 3-(diaminomethylidene)-1,1-dimethylguanidine;2-(2,2-dicyclohexylethyl)piperidine.

Molecular Properties

Compound Name3-(diaminomethylidene)-1,1-dimethylguanidine;2-(2,2-dicyclohexylethyl)piperidine
PubChem CID91885566
Molecular FormulaC23H46N6
Molecular Weight406.66 g/mol
Exact Mass406.38
IUPAC Name3-(diaminomethylidene)-1,1-dimethylguanidine;2-(2,2-dicyclohexylethyl)piperidine
SMILESC1CCC(C(CC2CCCCN2)C2CCCCC2)CC1.[H]/N=C(/N=C(N)N)N(C)C
InChIInChI=1S/C19H35N.C4H11N5/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18;1-9(2)4(7)8-3(5)6/h16-20H,1-15H2;1-2H3,(H5,5,6,7,8)
InChIKeyPJXCRFHKHNYYQE-UHFFFAOYSA-N
XLogP4.05
TPSA103.52 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.66
LogP ≤ 54.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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 3-(diaminomethylidene)-1,1-dimethylguanidine;2-(2,2-dicyclohexylethyl)piperidine?
The IUPAC name of 3-(diaminomethylidene)-1,1-dimethylguanidine;2-(2,2-dicyclohexylethyl)piperidine (CID 91885566) is 3-(diaminomethylidene)-1,1-dimethylguanidine;2-(2,2-dicyclohexylethyl)piperidine.
What is the SMILES notation for 3-(diaminomethylidene)-1,1-dimethylguanidine;2-(2,2-dicyclohexylethyl)piperidine?
The canonical SMILES for 3-(diaminomethylidene)-1,1-dimethylguanidine;2-(2,2-dicyclohexylethyl)piperidine is C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1.[H]/N=C(/N=C(N)N)N(C)C.
What is the InChIKey of 3-(diaminomethylidene)-1,1-dimethylguanidine;2-(2,2-dicyclohexylethyl)piperidine?
The InChIKey is PJXCRFHKHNYYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N.C4H11N5/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18;1-9(2)4(7)8-3(5)6/h16-20H,1-15H2;1-2H3,(H5,5,6,7,8).
What are the key properties of 3-(diaminomethylidene)-1,1-dimethylguanidine;2-(2,2-dicyclohexylethyl)piperidine?
3-(diaminomethylidene)-1,1-dimethylguanidine;2-(2,2-dicyclohexylethyl)piperidine has a molecular weight of 406.66 g/mol, XLogP of 4.05, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminomethylidene)-1,1-dimethylguanidine;2-(2,2-dicyclohexylethyl)piperidine is sourced from PubChem (CID 91885566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).