N-(2-aminoethyl)-N-butylethanimidamide

C8H19N3 — CID 21021799

IUPACN-(2-aminoethyl)-N-butylethanimidamide
SMILES[H]/N=C(\C)N(CCN)CCCC
InChIInChI=1S/C8H19N3/c1-3-4-6-11(7-5-9)8(2)10/h10H,3-7,9H2,1-2H3/b10-8+
InChIKeyIATBXUHCPKPBQM-CSKARUKUSA-N
MW157.26 g/mol
LogP1.04
Rot. Bonds5

About N-(2-aminoethyl)-N-butylethanimidamide

N-(2-aminoethyl)-N-butylethanimidamide (PubChem CID 21021799) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-butylethanimidamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-butylethanimidamide
PubChem CID21021799
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC NameN-(2-aminoethyl)-N-butylethanimidamide
SMILES[H]/N=C(\C)N(CCN)CCCC
InChIInChI=1S/C8H19N3/c1-3-4-6-11(7-5-9)8(2)10/h10H,3-7,9H2,1-2H3/b10-8+
InChIKeyIATBXUHCPKPBQM-CSKARUKUSA-N
XLogP1.04
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.04
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'}

Analyze N-(2-aminoethyl)-N-butylethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-butylethanimidamide?
The IUPAC name of N-(2-aminoethyl)-N-butylethanimidamide (CID 21021799) is N-(2-aminoethyl)-N-butylethanimidamide.
What is the SMILES notation for N-(2-aminoethyl)-N-butylethanimidamide?
The canonical SMILES for N-(2-aminoethyl)-N-butylethanimidamide is [H]/N=C(\C)N(CCN)CCCC.
What is the InChIKey of N-(2-aminoethyl)-N-butylethanimidamide?
The InChIKey is IATBXUHCPKPBQM-CSKARUKUSA-N. The full InChI is InChI=1S/C8H19N3/c1-3-4-6-11(7-5-9)8(2)10/h10H,3-7,9H2,1-2H3/b10-8+.
What are the key properties of N-(2-aminoethyl)-N-butylethanimidamide?
N-(2-aminoethyl)-N-butylethanimidamide has a molecular weight of 157.26 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-butylethanimidamide is sourced from PubChem (CID 21021799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).