1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(cyclopropylmethyl)-2-methylguanidine

C17H26N4O — CID 111869742

IUPAC1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(cyclopropylmethyl)-2-methylguanidine
SMILESC/N=C(/NCc1cccnc1OC1CCCC1)NCC1CC1
InChIInChI=1S/C17H26N4O/c1-18-17(20-11-13-8-9-13)21-12-14-5-4-10-19-16(14)22-15-6-2-3-7-15/h4-5,10,13,15H,2-3,6-9,11-12H2,1H3,(H2,18,20,21)
InChIKeyPLADLRGRGXFGHQ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.48
Rot. Bonds6

About 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(cyclopropylmethyl)-2-methylguanidine

1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(cyclopropylmethyl)-2-methylguanidine (PubChem CID 111869742) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(cyclopropylmethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(cyclopropylmethyl)-2-methylguanidine
PubChem CID111869742
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(cyclopropylmethyl)-2-methylguanidine
SMILESC/N=C(/NCc1cccnc1OC1CCCC1)NCC1CC1
InChIInChI=1S/C17H26N4O/c1-18-17(20-11-13-8-9-13)21-12-14-5-4-10-19-16(14)22-15-6-2-3-7-15/h4-5,10,13,15H,2-3,6-9,11-12H2,1H3,(H2,18,20,21)
InChIKeyPLADLRGRGXFGHQ-UHFFFAOYSA-N
XLogP2.48
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.48
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

1-(cyclopropylmethyl)-3-[(2-methoxy-3-pyridinyl)methyl]-2-methylguanidine
CID 111867444
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111595209
1-(cyclopropylmethyl)-3-[(2-ethoxy-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111867441
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-ethoxypropyl)-2-methylguanidine
CID 111223273
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-ethoxybutyl)-2-methylguanidine
CID 111946109
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-methyl-3-[(3-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111893622
1-(cyclopropylmethyl)-2-methyl-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine
CID 111867448
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111647150
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111284129
N-[(2-cycloheptyloxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62297718
3-[2-[[N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111669581
1-(3-cyclopentylpropyl)-3-[(2-ethoxy-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111947080

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(cyclopropylmethyl)-2-methylguanidine?
The IUPAC name of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(cyclopropylmethyl)-2-methylguanidine (CID 111869742) is 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(cyclopropylmethyl)-2-methylguanidine.
What is the SMILES notation for 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(cyclopropylmethyl)-2-methylguanidine?
The canonical SMILES for 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(cyclopropylmethyl)-2-methylguanidine is C/N=C(/NCc1cccnc1OC1CCCC1)NCC1CC1.
What is the InChIKey of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(cyclopropylmethyl)-2-methylguanidine?
The InChIKey is PLADLRGRGXFGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-18-17(20-11-13-8-9-13)21-12-14-5-4-10-19-16(14)22-15-6-2-3-7-15/h4-5,10,13,15H,2-3,6-9,11-12H2,1H3,(H2,18,20,21).
What are the key properties of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(cyclopropylmethyl)-2-methylguanidine?
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(cyclopropylmethyl)-2-methylguanidine has a molecular weight of 302.42 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(cyclopropylmethyl)-2-methylguanidine is sourced from PubChem (CID 111869742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).