1-(1-cyclopentylpyrrolidin-3-yl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine

C16H30N4O2 — CID 119150730

IUPAC1-(1-cyclopentylpyrrolidin-3-yl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine
SMILESC/N=C(\NCC1COCCO1)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C16H30N4O2/c1-17-16(18-10-15-12-21-8-9-22-15)19-13-6-7-20(11-13)14-4-2-3-5-14/h13-15H,2-12H2,1H3,(H2,17,18,19)
InChIKeyROHFTQHRKYHRAR-UHFFFAOYSA-N
MW310.44 g/mol
LogP0.58
Rot. Bonds4

About 1-(1-cyclopentylpyrrolidin-3-yl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine

1-(1-cyclopentylpyrrolidin-3-yl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine (PubChem CID 119150730) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrrolidin-3-yl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(1-cyclopentylpyrrolidin-3-yl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine
PubChem CID119150730
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name1-(1-cyclopentylpyrrolidin-3-yl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine
SMILESC/N=C(\NCC1COCCO1)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C16H30N4O2/c1-17-16(18-10-15-12-21-8-9-22-15)19-13-6-7-20(11-13)14-4-2-3-5-14/h13-15H,2-12H2,1H3,(H2,17,18,19)
InChIKeyROHFTQHRKYHRAR-UHFFFAOYSA-N
XLogP0.58
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
CID 111919636
1-(cyclopentylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 119150585
1-cyclopropyl-3-[(4-cyclopropylmorpholin-2-yl)methyl]-2-methylguanidine
CID 122082742
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 119150649
N-[2-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111919867
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(thian-4-ylmethyl)guanidine;hydroiodide
CID 119158534
1-(cyclohex-3-en-1-ylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine
CID 119150662
1-(1-cyclopentylpyrrolidin-3-yl)-2,3-dimethylguanidine
CID 119125154
1-(1-cyclopentylpyrrolidin-3-yl)-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 111919434
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111919364
1-cyclopentyl-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 110991009
2-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylacetamide
CID 119150604

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine?
The IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine (CID 119150730) is 1-(1-cyclopentylpyrrolidin-3-yl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine.
What is the SMILES notation for 1-(1-cyclopentylpyrrolidin-3-yl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine?
The canonical SMILES for 1-(1-cyclopentylpyrrolidin-3-yl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine is C/N=C(\NCC1COCCO1)NC1CCN(C2CCCC2)C1.
What is the InChIKey of 1-(1-cyclopentylpyrrolidin-3-yl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine?
The InChIKey is ROHFTQHRKYHRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-17-16(18-10-15-12-21-8-9-22-15)19-13-6-7-20(11-13)14-4-2-3-5-14/h13-15H,2-12H2,1H3,(H2,17,18,19).
What are the key properties of 1-(1-cyclopentylpyrrolidin-3-yl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine?
1-(1-cyclopentylpyrrolidin-3-yl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine has a molecular weight of 310.44 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrrolidin-3-yl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine is sourced from PubChem (CID 119150730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).