1-tert-butyl-2-[(2-cyclopentyloxy-4-pyridinyl)methyl]guanidine

C16H26N4O — CID 111049934

IUPAC1-tert-butyl-2-[(2-cyclopentyloxy-4-pyridinyl)methyl]guanidine
SMILESCC(C)(C)N/C(N)=N/Cc1ccnc(OC2CCCC2)c1
InChIInChI=1S/C16H26N4O/c1-16(2,3)20-15(17)19-11-12-8-9-18-14(10-12)21-13-6-4-5-7-13/h8-10,13H,4-7,11H2,1-3H3,(H3,17,19,20)
InChIKeyQFTRCOPBGMHJRT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.61
Rot. Bonds4

About 1-tert-butyl-2-[(2-cyclopentyloxy-4-pyridinyl)methyl]guanidine

1-tert-butyl-2-[(2-cyclopentyloxy-4-pyridinyl)methyl]guanidine (PubChem CID 111049934) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-tert-butyl-2-[(2-cyclopentyloxy-4-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-[(2-cyclopentyloxy-4-pyridinyl)methyl]guanidine
PubChem CID111049934
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-tert-butyl-2-[(2-cyclopentyloxy-4-pyridinyl)methyl]guanidine
SMILESCC(C)(C)N/C(N)=N/Cc1ccnc(OC2CCCC2)c1
InChIInChI=1S/C16H26N4O/c1-16(2,3)20-15(17)19-11-12-8-9-18-14(10-12)21-13-6-4-5-7-13/h8-10,13H,4-7,11H2,1-3H3,(H3,17,19,20)
InChIKeyQFTRCOPBGMHJRT-UHFFFAOYSA-N
XLogP2.61
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-cyclopentylguanidine
CID 119121177
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-phenylguanidine
CID 110925462
1-tert-butyl-2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine
CID 111050020
1-tert-butyl-2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111050019
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111049994
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-hexylguanidine
CID 111049940
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2-phenylethyl)guanidine
CID 111049928
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 111049963
1-tert-butyl-2-[[2-(difluoromethoxy)-4-pyridinyl]methyl]guanidine
CID 120913636
N'-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919958
1-cyclopentyl-2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-ethylguanidine;hydroiodide
CID 110989668
1-(3,4-dimethoxyphenyl)-2-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111808125

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[(2-cyclopentyloxy-4-pyridinyl)methyl]guanidine?
The IUPAC name of 1-tert-butyl-2-[(2-cyclopentyloxy-4-pyridinyl)methyl]guanidine (CID 111049934) is 1-tert-butyl-2-[(2-cyclopentyloxy-4-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-tert-butyl-2-[(2-cyclopentyloxy-4-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-tert-butyl-2-[(2-cyclopentyloxy-4-pyridinyl)methyl]guanidine is CC(C)(C)N/C(N)=N/Cc1ccnc(OC2CCCC2)c1.
What is the InChIKey of 1-tert-butyl-2-[(2-cyclopentyloxy-4-pyridinyl)methyl]guanidine?
The InChIKey is QFTRCOPBGMHJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-16(2,3)20-15(17)19-11-12-8-9-18-14(10-12)21-13-6-4-5-7-13/h8-10,13H,4-7,11H2,1-3H3,(H3,17,19,20).
What are the key properties of 1-tert-butyl-2-[(2-cyclopentyloxy-4-pyridinyl)methyl]guanidine?
1-tert-butyl-2-[(2-cyclopentyloxy-4-pyridinyl)methyl]guanidine has a molecular weight of 290.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[(2-cyclopentyloxy-4-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111049934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).