1-cyclopropyl-2-[(1-phenylcyclopropyl)methyl]-3-propan-2-ylguanidine;hydroiodide

C17H26IN3 — CID 75533264

IUPAC1-cyclopropyl-2-[(1-phenylcyclopropyl)methyl]-3-propan-2-ylguanidine;hydroiodide
SMILESCC(C)N/C(=N\CC1(c2ccccc2)CC1)NC1CC1.I
InChIInChI=1S/C17H25N3.HI/c1-13(2)19-16(20-15-8-9-15)18-12-17(10-11-17)14-6-4-3-5-7-14;/h3-7,13,15H,8-12H2,1-2H3,(H2,18,19,20);1H
InChIKeyWAPYPTCHKCKTCU-UHFFFAOYSA-N
MW399.32 g/mol
LogP3.44
Rot. Bonds5

About 1-cyclopropyl-2-[(1-phenylcyclopropyl)methyl]-3-propan-2-ylguanidine;hydroiodide

1-cyclopropyl-2-[(1-phenylcyclopropyl)methyl]-3-propan-2-ylguanidine;hydroiodide (PubChem CID 75533264) has the molecular formula C17H26IN3 and a molecular weight of 399.32 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(1-phenylcyclopropyl)methyl]-3-propan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[(1-phenylcyclopropyl)methyl]-3-propan-2-ylguanidine;hydroiodide
PubChem CID75533264
Molecular FormulaC17H26IN3
Molecular Weight399.32 g/mol
Exact Mass399.12
IUPAC Name1-cyclopropyl-2-[(1-phenylcyclopropyl)methyl]-3-propan-2-ylguanidine;hydroiodide
SMILESCC(C)N/C(=N\CC1(c2ccccc2)CC1)NC1CC1.I
InChIInChI=1S/C17H25N3.HI/c1-13(2)19-16(20-15-8-9-15)18-12-17(10-11-17)14-6-4-3-5-7-14;/h3-7,13,15H,8-12H2,1-2H3,(H2,18,19,20);1H
InChIKeyWAPYPTCHKCKTCU-UHFFFAOYSA-N
XLogP3.44
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.32
LogP ≤ 53.44
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-3-ethyl-2-[(4-phenyloxan-4-yl)methyl]guanidine
CID 110989153
1-cyclohexyl-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111038799
N-cyclohexyl-3-[[N-ethyl-N'-[(1-phenylcyclopropyl)methyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111857069
3-[[N-ethyl-N'-[(1-phenylcyclobutyl)methyl]carbamimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111855237
2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide
CID 111572766
1-ethyl-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111126844
2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-ethyl-3-propan-2-ylguanidine;hydroiodide
CID 111771965
2-[(4-phenyloxan-4-yl)methyl]-1-propan-2-ylguanidine
CID 111067990
1-cyclohexyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 75532682
2-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111190183
2-[[1-(4-bromophenyl)cyclobutyl]methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111189743
2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317989

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(1-phenylcyclopropyl)methyl]-3-propan-2-ylguanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[(1-phenylcyclopropyl)methyl]-3-propan-2-ylguanidine;hydroiodide (CID 75533264) is 1-cyclopropyl-2-[(1-phenylcyclopropyl)methyl]-3-propan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[(1-phenylcyclopropyl)methyl]-3-propan-2-ylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[(1-phenylcyclopropyl)methyl]-3-propan-2-ylguanidine;hydroiodide is CC(C)N/C(=N\CC1(c2ccccc2)CC1)NC1CC1.I.
What is the InChIKey of 1-cyclopropyl-2-[(1-phenylcyclopropyl)methyl]-3-propan-2-ylguanidine;hydroiodide?
The InChIKey is WAPYPTCHKCKTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3.HI/c1-13(2)19-16(20-15-8-9-15)18-12-17(10-11-17)14-6-4-3-5-7-14;/h3-7,13,15H,8-12H2,1-2H3,(H2,18,19,20);1H.
What are the key properties of 1-cyclopropyl-2-[(1-phenylcyclopropyl)methyl]-3-propan-2-ylguanidine;hydroiodide?
1-cyclopropyl-2-[(1-phenylcyclopropyl)methyl]-3-propan-2-ylguanidine;hydroiodide has a molecular weight of 399.32 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(1-phenylcyclopropyl)methyl]-3-propan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 75533264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).