3-[(2-hydroxycyclopentyl)methyl]-1,2-dimethyl-1-(1H-pyrrol-2-ylmethyl)guanidine

C14H24N4O — CID 119155099

IUPAC3-[(2-hydroxycyclopentyl)methyl]-1,2-dimethyl-1-(1H-pyrrol-2-ylmethyl)guanidine
SMILESC/N=C(/NCC1CCCC1O)N(C)Cc1ccc[nH]1
InChIInChI=1S/C14H24N4O/c1-15-14(17-9-11-5-3-7-13(11)19)18(2)10-12-6-4-8-16-12/h4,6,8,11,13,16,19H,3,5,7,9-10H2,1-2H3,(H,15,17)
InChIKeyMQMPDRNYOADPMV-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.18
Rot. Bonds4

About 3-[(2-hydroxycyclopentyl)methyl]-1,2-dimethyl-1-(1H-pyrrol-2-ylmethyl)guanidine

3-[(2-hydroxycyclopentyl)methyl]-1,2-dimethyl-1-(1H-pyrrol-2-ylmethyl)guanidine (PubChem CID 119155099) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[(2-hydroxycyclopentyl)methyl]-1,2-dimethyl-1-(1H-pyrrol-2-ylmethyl)guanidine.

Molecular Properties

Compound Name3-[(2-hydroxycyclopentyl)methyl]-1,2-dimethyl-1-(1H-pyrrol-2-ylmethyl)guanidine
PubChem CID119155099
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-[(2-hydroxycyclopentyl)methyl]-1,2-dimethyl-1-(1H-pyrrol-2-ylmethyl)guanidine
SMILESC/N=C(/NCC1CCCC1O)N(C)Cc1ccc[nH]1
InChIInChI=1S/C14H24N4O/c1-15-14(17-9-11-5-3-7-13(11)19)18(2)10-12-6-4-8-16-12/h4,6,8,11,13,16,19H,3,5,7,9-10H2,1-2H3,(H,15,17)
InChIKeyMQMPDRNYOADPMV-UHFFFAOYSA-N
XLogP1.18
TPSA63.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.18
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxycyclopentyl)methyl]-1,2-dimethyl-1-(1H-pyrrol-2-ylmethyl)guanidine?
The IUPAC name of 3-[(2-hydroxycyclopentyl)methyl]-1,2-dimethyl-1-(1H-pyrrol-2-ylmethyl)guanidine (CID 119155099) is 3-[(2-hydroxycyclopentyl)methyl]-1,2-dimethyl-1-(1H-pyrrol-2-ylmethyl)guanidine.
What is the SMILES notation for 3-[(2-hydroxycyclopentyl)methyl]-1,2-dimethyl-1-(1H-pyrrol-2-ylmethyl)guanidine?
The canonical SMILES for 3-[(2-hydroxycyclopentyl)methyl]-1,2-dimethyl-1-(1H-pyrrol-2-ylmethyl)guanidine is C/N=C(/NCC1CCCC1O)N(C)Cc1ccc[nH]1.
What is the InChIKey of 3-[(2-hydroxycyclopentyl)methyl]-1,2-dimethyl-1-(1H-pyrrol-2-ylmethyl)guanidine?
The InChIKey is MQMPDRNYOADPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-15-14(17-9-11-5-3-7-13(11)19)18(2)10-12-6-4-8-16-12/h4,6,8,11,13,16,19H,3,5,7,9-10H2,1-2H3,(H,15,17).
What are the key properties of 3-[(2-hydroxycyclopentyl)methyl]-1,2-dimethyl-1-(1H-pyrrol-2-ylmethyl)guanidine?
3-[(2-hydroxycyclopentyl)methyl]-1,2-dimethyl-1-(1H-pyrrol-2-ylmethyl)guanidine has a molecular weight of 264.37 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxycyclopentyl)methyl]-1,2-dimethyl-1-(1H-pyrrol-2-ylmethyl)guanidine is sourced from PubChem (CID 119155099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).