1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine

C19H28N4O — CID 119155699

IUPAC1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine
SMILESC/N=C(/NCCc1c(C)[nH]c2ccccc12)NCC1CCCC1O
InChIInChI=1S/C19H28N4O/c1-13-15(16-7-3-4-8-17(16)23-13)10-11-21-19(20-2)22-12-14-6-5-9-18(14)24/h3-4,7-8,14,18,23-24H,5-6,9-12H2,1-2H3,(H2,20,21,22)
InChIKeyVFGHPZYXIDUMCV-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.34
Rot. Bonds5

About 1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine

1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine (PubChem CID 119155699) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine
PubChem CID119155699
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine
SMILESC/N=C(/NCCc1c(C)[nH]c2ccccc12)NCC1CCCC1O
InChIInChI=1S/C19H28N4O/c1-13-15(16-7-3-4-8-17(16)23-13)10-11-21-19(20-2)22-12-14-6-5-9-18(14)24/h3-4,7-8,14,18,23-24H,5-6,9-12H2,1-2H3,(H2,20,21,22)
InChIKeyVFGHPZYXIDUMCV-UHFFFAOYSA-N
XLogP2.34
TPSA72.44 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[(1-hydroxycyclobutyl)methyl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 119156636
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 109398586
1-(2-methoxyethyl)-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine
CID 110941362
2-methyl-1-(3-methylbutyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 110978462
2-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-prop-2-enylguanidine
CID 110981811
2-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111612022
1-(3-methoxypropyl)-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine
CID 110975381
1-(3-butoxypropyl)-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111240301
2-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111629449
2-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111351457
1-(1-methoxypropan-2-yl)-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111237051
2-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(thiophen-3-ylmethyl)guanidine
CID 111941129

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine?
The IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine (CID 119155699) is 1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine?
The canonical SMILES for 1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine is C/N=C(/NCCc1c(C)[nH]c2ccccc12)NCC1CCCC1O.
What is the InChIKey of 1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine?
The InChIKey is VFGHPZYXIDUMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-13-15(16-7-3-4-8-17(16)23-13)10-11-21-19(20-2)22-12-14-6-5-9-18(14)24/h3-4,7-8,14,18,23-24H,5-6,9-12H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine?
1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine has a molecular weight of 328.46 g/mol, XLogP of 2.34, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine is sourced from PubChem (CID 119155699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).