N-amino-4-butan-2-yl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide

C14H31N5O — CID 104882575

IUPACN-amino-4-butan-2-yl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide
SMILESCCOCCC/N=C(\NN)N1CCN(C(C)CC)CC1
InChIInChI=1S/C14H31N5O/c1-4-13(3)18-8-10-19(11-9-18)14(17-15)16-7-6-12-20-5-2/h13H,4-12,15H2,1-3H3,(H,16,17)
InChIKeyRNRMUQXJLXEFJZ-UHFFFAOYSA-N
MW285.44 g/mol
LogP0.65
Rot. Bonds7

About N-amino-4-butan-2-yl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide

N-amino-4-butan-2-yl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide (PubChem CID 104882575) has the molecular formula C14H31N5O and a molecular weight of 285.44 g/mol. Its IUPAC name is N-amino-4-butan-2-yl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-4-butan-2-yl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide
PubChem CID104882575
Molecular FormulaC14H31N5O
Molecular Weight285.44 g/mol
Exact Mass285.25
IUPAC NameN-amino-4-butan-2-yl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide
SMILESCCOCCC/N=C(\NN)N1CCN(C(C)CC)CC1
InChIInChI=1S/C14H31N5O/c1-4-13(3)18-8-10-19(11-9-18)14(17-15)16-7-6-12-20-5-2/h13H,4-12,15H2,1-3H3,(H,16,17)
InChIKeyRNRMUQXJLXEFJZ-UHFFFAOYSA-N
XLogP0.65
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-4-butan-2-yl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide?
The IUPAC name of N-amino-4-butan-2-yl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide (CID 104882575) is N-amino-4-butan-2-yl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide.
What is the SMILES notation for N-amino-4-butan-2-yl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide?
The canonical SMILES for N-amino-4-butan-2-yl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide is CCOCCC/N=C(\NN)N1CCN(C(C)CC)CC1.
What is the InChIKey of N-amino-4-butan-2-yl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide?
The InChIKey is RNRMUQXJLXEFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N5O/c1-4-13(3)18-8-10-19(11-9-18)14(17-15)16-7-6-12-20-5-2/h13H,4-12,15H2,1-3H3,(H,16,17).
What are the key properties of N-amino-4-butan-2-yl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide?
N-amino-4-butan-2-yl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide has a molecular weight of 285.44 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-4-butan-2-yl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide is sourced from PubChem (CID 104882575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).