1-cycloheptyl-2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]guanidine

C16H28N4O — CID 110018397

IUPAC1-cycloheptyl-2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]guanidine
SMILESN/C(=N\CC1CC(=O)N(C2CC2)C1)NC1CCCCCC1
InChIInChI=1S/C16H28N4O/c17-16(19-13-5-3-1-2-4-6-13)18-10-12-9-15(21)20(11-12)14-7-8-14/h12-14H,1-11H2,(H3,17,18,19)
InChIKeySVCQPVRFLNOFNS-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.62
Rot. Bonds4

About 1-cycloheptyl-2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]guanidine

1-cycloheptyl-2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]guanidine (PubChem CID 110018397) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-cycloheptyl-2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cycloheptyl-2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]guanidine
PubChem CID110018397
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-cycloheptyl-2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]guanidine
SMILESN/C(=N\CC1CC(=O)N(C2CC2)C1)NC1CCCCCC1
InChIInChI=1S/C16H28N4O/c17-16(19-13-5-3-1-2-4-6-13)18-10-12-9-15(21)20(11-12)14-7-8-14/h12-14H,1-11H2,(H3,17,18,19)
InChIKeySVCQPVRFLNOFNS-UHFFFAOYSA-N
XLogP1.62
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.62
H-Bond Donors ≤ 52
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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Related Compounds

1-tert-butyl-2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]guanidine
CID 110018474
1-butan-2-yl-2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]guanidine
CID 110017728
1-cyclobutyl-2-(cycloheptylmethyl)guanidine
CID 122097653
1-cyclohexyl-2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110061577
N'-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperidine-1-carboximidamide
CID 110017734
(3S)-N,1-dicyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 6938538
2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-1-(2,5-diethoxyphenyl)guanidine
CID 110018405
(4R)-1-cyclohexyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259368
1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 62363418
2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]guanidine
CID 110018448
1-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)methyl]guanidine
CID 55063969
(3R)-N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 95164310

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]guanidine?
The IUPAC name of 1-cycloheptyl-2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]guanidine (CID 110018397) is 1-cycloheptyl-2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]guanidine.
What is the SMILES notation for 1-cycloheptyl-2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]guanidine?
The canonical SMILES for 1-cycloheptyl-2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]guanidine is N/C(=N\CC1CC(=O)N(C2CC2)C1)NC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]guanidine?
The InChIKey is SVCQPVRFLNOFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c17-16(19-13-5-3-1-2-4-6-13)18-10-12-9-15(21)20(11-12)14-7-8-14/h12-14H,1-11H2,(H3,17,18,19).
What are the key properties of 1-cycloheptyl-2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]guanidine?
1-cycloheptyl-2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]guanidine has a molecular weight of 292.43 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]guanidine is sourced from PubChem (CID 110018397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).