2-cyclohexyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine

C14H29N3O2 — CID 62361862

IUPAC2-cyclohexyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine
SMILESCOCCCN(CCOC)/C(N)=N/C1CCCCC1
InChIInChI=1S/C14H29N3O2/c1-18-11-6-9-17(10-12-19-2)14(15)16-13-7-4-3-5-8-13/h13H,3-12H2,1-2H3,(H2,15,16)
InChIKeySTNHKVKYVXJNCR-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.62
Rot. Bonds8

About 2-cyclohexyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine

2-cyclohexyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine (PubChem CID 62361862) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine
PubChem CID62361862
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-cyclohexyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine
SMILESCOCCCN(CCOC)/C(N)=N/C1CCCCC1
InChIInChI=1S/C14H29N3O2/c1-18-11-6-9-17(10-12-19-2)14(15)16-13-7-4-3-5-8-13/h13H,3-12H2,1-2H3,(H2,15,16)
InChIKeySTNHKVKYVXJNCR-UHFFFAOYSA-N
XLogP1.62
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-cyclohexyl-1-(3-methoxypropyl)-1-methylguanidine
CID 63009383
2-cyclohexyl-1-(2-methoxyethyl)-1-propan-2-ylguanidine
CID 82951287
3-amino-2-cyclopentyl-1-(3-methoxypropyl)-1-methylguanidine
CID 104885884
2-cyclohexyl-1,1-bis(2-methylpropyl)guanidine
CID 62362061
3-amino-2-cyclohexyl-1-(2-methoxyethyl)-1-methylguanidine
CID 104885414
2-cyclopropyl-1,1-dipropylguanidine
CID 62359563
3-amino-2-cyclopropyl-1,1-bis(2-methoxyethyl)guanidine
CID 104885359
N-(3-aminopropyl)-N-(2-methoxyethyl)cycloheptanecarboxamide
CID 63287770
2-cyclohexyl-1-ethyl-1-methylguanidine
CID 18727696
2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine
CID 102994219
2-N-(3-methoxypropyl)-2-N-methylcyclododecane-1,2-diamine
CID 63468227
2-tert-butyl-1,1-bis(2-methoxyethyl)guanidine
CID 62364543

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine?
The IUPAC name of 2-cyclohexyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine (CID 62361862) is 2-cyclohexyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine.
What is the SMILES notation for 2-cyclohexyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine?
The canonical SMILES for 2-cyclohexyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine is COCCCN(CCOC)/C(N)=N/C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine?
The InChIKey is STNHKVKYVXJNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-18-11-6-9-17(10-12-19-2)14(15)16-13-7-4-3-5-8-13/h13H,3-12H2,1-2H3,(H2,15,16).
What are the key properties of 2-cyclohexyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine?
2-cyclohexyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine has a molecular weight of 271.40 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine is sourced from PubChem (CID 62361862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).