1-cycloheptyl-2-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine

C14H25N3 — CID 122082390

IUPAC1-cycloheptyl-2-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine
SMILESN/C(=N\[C@@H]1C[C@H]1C1CC1)NC1CCCCCC1
InChIInChI=1S/C14H25N3/c15-14(16-11-5-3-1-2-4-6-11)17-13-9-12(13)10-7-8-10/h10-13H,1-9H2,(H3,15,16,17)/t12-,13+/m0/s1
InChIKeyGFNJORHKIDNIJQ-QWHCGFSZSA-N
MW235.37 g/mol
LogP2.41
Rot. Bonds3

About 1-cycloheptyl-2-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine

1-cycloheptyl-2-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine (PubChem CID 122082390) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-cycloheptyl-2-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine.

Molecular Properties

Compound Name1-cycloheptyl-2-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine
PubChem CID122082390
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-cycloheptyl-2-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine
SMILESN/C(=N\[C@@H]1C[C@H]1C1CC1)NC1CCCCCC1
InChIInChI=1S/C14H25N3/c15-14(16-11-5-3-1-2-4-6-11)17-13-9-12(13)10-7-8-10/h10-13H,1-9H2,(H3,15,16,17)/t12-,13+/m0/s1
InChIKeyGFNJORHKIDNIJQ-QWHCGFSZSA-N
XLogP2.41
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-cycloheptyl-2-[(1S,2S)-2-(difluoromethyl)cyclopropyl]guanidine
CID 122082690
1-cyclopentyl-2-(2-propan-2-ylcyclohexyl)guanidine
CID 78965822
1-cyclopentyl-2-(2-methoxycyclopentyl)guanidine
CID 62362535
2-(2-benzylcyclopropyl)-1-cyclohexylguanidine
CID 119148315
1-cyclohexyl-2-[(1R,2S)-2-(3,4,5-trifluorophenyl)cyclopropyl]guanidine;hydroiodide
CID 120671387
2-[(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropyl]-1-cyclohexylguanidine;hydroiodide
CID 120663063
1-cyclohexyl-2-(1,1-dioxothian-4-yl)guanidine
CID 62364730
1-cyclopropyl-2-(2,3-dimethylcyclobutyl)guanidine
CID 130993715
cycloheptylthiourea
CID 13433274
2-[2-(3-chlorophenyl)cyclopropyl]-1-cyclohexylguanidine
CID 111818894
1-cyclohexyl-2-ethylguanidine
CID 18727697
1,2-bis(2-bicyclo[2.2.1]heptanyl)guanidine
CID 14771677

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine?
The IUPAC name of 1-cycloheptyl-2-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine (CID 122082390) is 1-cycloheptyl-2-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine.
What is the SMILES notation for 1-cycloheptyl-2-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine?
The canonical SMILES for 1-cycloheptyl-2-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine is N/C(=N\[C@@H]1C[C@H]1C1CC1)NC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine?
The InChIKey is GFNJORHKIDNIJQ-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H25N3/c15-14(16-11-5-3-1-2-4-6-11)17-13-9-12(13)10-7-8-10/h10-13H,1-9H2,(H3,15,16,17)/t12-,13+/m0/s1.
What are the key properties of 1-cycloheptyl-2-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine?
1-cycloheptyl-2-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine has a molecular weight of 235.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine is sourced from PubChem (CID 122082390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).