1,3-dicyclohexyl-2-[2-(cyclohexylamino)ethyl]guanidine

C21H40N4 — CID 129246032

IUPAC1,3-dicyclohexyl-2-[2-(cyclohexylamino)ethyl]guanidine
SMILESC1CCC(NCCN=C(NC2CCCCC2)NC2CCCCC2)CC1
InChIInChI=1S/C21H40N4/c1-4-10-18(11-5-1)22-16-17-23-21(24-19-12-6-2-7-13-19)25-20-14-8-3-9-15-20/h18-20,22H,1-17H2,(H2,23,24,25)
InChIKeyDMUVTFZNSOHUDO-UHFFFAOYSA-N
MW348.58 g/mol
LogP4.11
Rot. Bonds6

About 1,3-dicyclohexyl-2-[2-(cyclohexylamino)ethyl]guanidine

1,3-dicyclohexyl-2-[2-(cyclohexylamino)ethyl]guanidine (PubChem CID 129246032) has the molecular formula C21H40N4 and a molecular weight of 348.58 g/mol. Its IUPAC name is 1,3-dicyclohexyl-2-[2-(cyclohexylamino)ethyl]guanidine.

Molecular Properties

Compound Name1,3-dicyclohexyl-2-[2-(cyclohexylamino)ethyl]guanidine
PubChem CID129246032
Molecular FormulaC21H40N4
Molecular Weight348.58 g/mol
Exact Mass348.33
IUPAC Name1,3-dicyclohexyl-2-[2-(cyclohexylamino)ethyl]guanidine
SMILESC1CCC(NCCN=C(NC2CCCCC2)NC2CCCCC2)CC1
InChIInChI=1S/C21H40N4/c1-4-10-18(11-5-1)22-16-17-23-21(24-19-12-6-2-7-13-19)25-20-14-8-3-9-15-20/h18-20,22H,1-17H2,(H2,23,24,25)
InChIKeyDMUVTFZNSOHUDO-UHFFFAOYSA-N
XLogP4.11
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.58
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

1,3-dicyclohexyl-2-(2-hydroxyethyl)guanidine
CID 122691164
2-[3-[bis(cyclohexylamino)methylideneamino]propyl]-1,3-dicyclohexylguanidine
CID 20762626
1,3-dicyclohexyl-2-pentylguanidine
CID 118030780
1,3-dicyclohexyl-2-octylguanidine;hydrochloride
CID 14771737
1,3-dicyclohexyl-2-(2-hydroxypropyl)guanidine
CID 118456420
1,3-dicyclohexyl-2-[6-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]hexylamino]hexyl]guanidine
CID 176523791
1-cyclohexyl-3-ethyl-2-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 110959024
1-cyclohexyl-2-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide
CID 111604591
N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine
CID 23423562
N'-cycloundecylethane-1,2-diamine
CID 166845791
1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine
CID 119115657
1-amino-2-(2-cyclohexylethyl)-3-cyclopropylguanidine
CID 104884183

Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-2-[2-(cyclohexylamino)ethyl]guanidine?
The IUPAC name of 1,3-dicyclohexyl-2-[2-(cyclohexylamino)ethyl]guanidine (CID 129246032) is 1,3-dicyclohexyl-2-[2-(cyclohexylamino)ethyl]guanidine.
What is the SMILES notation for 1,3-dicyclohexyl-2-[2-(cyclohexylamino)ethyl]guanidine?
The canonical SMILES for 1,3-dicyclohexyl-2-[2-(cyclohexylamino)ethyl]guanidine is C1CCC(NCCN=C(NC2CCCCC2)NC2CCCCC2)CC1.
What is the InChIKey of 1,3-dicyclohexyl-2-[2-(cyclohexylamino)ethyl]guanidine?
The InChIKey is DMUVTFZNSOHUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4/c1-4-10-18(11-5-1)22-16-17-23-21(24-19-12-6-2-7-13-19)25-20-14-8-3-9-15-20/h18-20,22H,1-17H2,(H2,23,24,25).
What are the key properties of 1,3-dicyclohexyl-2-[2-(cyclohexylamino)ethyl]guanidine?
1,3-dicyclohexyl-2-[2-(cyclohexylamino)ethyl]guanidine has a molecular weight of 348.58 g/mol, XLogP of 4.11, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-2-[2-(cyclohexylamino)ethyl]guanidine is sourced from PubChem (CID 129246032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).