1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine

C16H29N3O — CID 122097518

IUPAC1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine
SMILESN/C(=N\CC1CCOC2(CCC2)C1)NC1CCCCC1
InChIInChI=1S/C16H29N3O/c17-15(19-14-5-2-1-3-6-14)18-12-13-7-10-20-16(11-13)8-4-9-16/h13-14H,1-12H2,(H3,17,18,19)
InChIKeyNEEPDCXDBZMGJB-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.57
Rot. Bonds3

About 1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine

1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine (PubChem CID 122097518) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine
PubChem CID122097518
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine
SMILESN/C(=N\CC1CCOC2(CCC2)C1)NC1CCCCC1
InChIInChI=1S/C16H29N3O/c17-15(19-14-5-2-1-3-6-14)18-12-13-7-10-20-16(11-13)8-4-9-16/h13-14H,1-12H2,(H3,17,18,19)
InChIKeyNEEPDCXDBZMGJB-UHFFFAOYSA-N
XLogP2.57
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
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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Related Compounds

1-(1-methoxypropan-2-yl)-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine
CID 122097515
1-cyclobutyl-2-(cycloheptylmethyl)guanidine
CID 122097653
1-cyclobutyl-2-[(3,3-dimethylcyclohexyl)methyl]guanidine
CID 122098227
1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 62363418
1-cyclohexyl-2-[(4-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110932852
2-methyl-N'-(5-oxaspiro[3.5]nonan-8-ylmethyl)morpholine-4-carboximidamide
CID 122097485
2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine
CID 119120109
1-cyclopentyl-2-[(3-methyloxolan-3-yl)methyl]guanidine;hydroiodide
CID 119147527
1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110912554
1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one
CID 79894719
N-(6-oxaspiro[4.5]decan-9-ylmethyl)ethanamine
CID 79914759
5-oxaspiro[3.5]nonan-8-ylurea
CID 131086736

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine?
The IUPAC name of 1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine (CID 122097518) is 1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine.
What is the SMILES notation for 1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine?
The canonical SMILES for 1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine is N/C(=N\CC1CCOC2(CCC2)C1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine?
The InChIKey is NEEPDCXDBZMGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c17-15(19-14-5-2-1-3-6-14)18-12-13-7-10-20-16(11-13)8-4-9-16/h13-14H,1-12H2,(H3,17,18,19).
What are the key properties of 1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine?
1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine has a molecular weight of 279.43 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine is sourced from PubChem (CID 122097518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).