1-[4-(4-ethylpiperazin-1-yl)butyl]-2-methyl-3-(2-methylcyclopropyl)guanidine

C16H33N5 — CID 111961877

IUPAC1-[4-(4-ethylpiperazin-1-yl)butyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
SMILESCCN1CCN(CCCCN/C(=N\C)NC2CC2C)CC1
InChIInChI=1S/C16H33N5/c1-4-20-9-11-21(12-10-20)8-6-5-7-18-16(17-3)19-15-13-14(15)2/h14-15H,4-13H2,1-3H3,(H2,17,18,19)
InChIKeyRCDWNUOEOUQINV-UHFFFAOYSA-N
MW295.47 g/mol
LogP0.98
Rot. Bonds7

About 1-[4-(4-ethylpiperazin-1-yl)butyl]-2-methyl-3-(2-methylcyclopropyl)guanidine

1-[4-(4-ethylpiperazin-1-yl)butyl]-2-methyl-3-(2-methylcyclopropyl)guanidine (PubChem CID 111961877) has the molecular formula C16H33N5 and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-[4-(4-ethylpiperazin-1-yl)butyl]-2-methyl-3-(2-methylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-[4-(4-ethylpiperazin-1-yl)butyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
PubChem CID111961877
Molecular FormulaC16H33N5
Molecular Weight295.47 g/mol
Exact Mass295.27
IUPAC Name1-[4-(4-ethylpiperazin-1-yl)butyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
SMILESCCN1CCN(CCCCN/C(=N\C)NC2CC2C)CC1
InChIInChI=1S/C16H33N5/c1-4-20-9-11-21(12-10-20)8-6-5-7-18-16(17-3)19-15-13-14(15)2/h14-15H,4-13H2,1-3H3,(H2,17,18,19)
InChIKeyRCDWNUOEOUQINV-UHFFFAOYSA-N
XLogP0.98
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(2-methylcyclopropyl)-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111963245
2-methyl-1-(2-methylcyclopropyl)-3-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111963244
1-[4-(4-ethylpiperazin-1-yl)butyl]-3-hexyl-2-methylguanidine
CID 111160677
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111962521
1-[4-(4-ethylpiperazin-1-yl)butyl]-2-methyl-3-(5-methylhexyl)guanidine
CID 111580194
tert-butyl N-[2-[[N-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate
CID 111884477
1-[4-(4-ethylpiperazin-1-yl)butyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111914960
methyl 5-[[N'-methyl-N-(2-methylcyclopropyl)carbamimidoyl]amino]pentanoate
CID 111963053
1-(3-ethoxypropyl)-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-methylguanidine;hydroiodide
CID 111223356
1-[4-(4-ethylpiperazin-1-yl)butyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472902
1-[4-(4-ethylpiperazin-1-yl)butyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine
CID 111203828
1-(5-methoxypentyl)-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111961991

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylpiperazin-1-yl)butyl]-2-methyl-3-(2-methylcyclopropyl)guanidine?
The IUPAC name of 1-[4-(4-ethylpiperazin-1-yl)butyl]-2-methyl-3-(2-methylcyclopropyl)guanidine (CID 111961877) is 1-[4-(4-ethylpiperazin-1-yl)butyl]-2-methyl-3-(2-methylcyclopropyl)guanidine.
What is the SMILES notation for 1-[4-(4-ethylpiperazin-1-yl)butyl]-2-methyl-3-(2-methylcyclopropyl)guanidine?
The canonical SMILES for 1-[4-(4-ethylpiperazin-1-yl)butyl]-2-methyl-3-(2-methylcyclopropyl)guanidine is CCN1CCN(CCCCN/C(=N\C)NC2CC2C)CC1.
What is the InChIKey of 1-[4-(4-ethylpiperazin-1-yl)butyl]-2-methyl-3-(2-methylcyclopropyl)guanidine?
The InChIKey is RCDWNUOEOUQINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5/c1-4-20-9-11-21(12-10-20)8-6-5-7-18-16(17-3)19-15-13-14(15)2/h14-15H,4-13H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-[4-(4-ethylpiperazin-1-yl)butyl]-2-methyl-3-(2-methylcyclopropyl)guanidine?
1-[4-(4-ethylpiperazin-1-yl)butyl]-2-methyl-3-(2-methylcyclopropyl)guanidine has a molecular weight of 295.47 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylpiperazin-1-yl)butyl]-2-methyl-3-(2-methylcyclopropyl)guanidine is sourced from PubChem (CID 111961877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).