N-[3-[[ethylamino-(4-methylpentylamino)methylidene]amino]propyl]benzamide;hydroiodide

C19H33IN4O — CID 111943664

IUPACN-[3-[[ethylamino-(4-methylpentylamino)methylidene]amino]propyl]benzamide;hydroiodide
SMILESCCN/C(=N\CCCNC(=O)c1ccccc1)NCCCC(C)C.I
InChIInChI=1S/C19H32N4O.HI/c1-4-20-19(22-13-8-10-16(2)3)23-15-9-14-21-18(24)17-11-6-5-7-12-17;/h5-7,11-12,16H,4,8-10,13-15H2,1-3H3,(H,21,24)(H2,20,22,23);1H
InChIKeyIYOMDAWMBJDPJK-UHFFFAOYSA-N
MW460.40 g/mol
LogP3.42
Rot. Bonds10

About N-[3-[[ethylamino-(4-methylpentylamino)methylidene]amino]propyl]benzamide;hydroiodide

N-[3-[[ethylamino-(4-methylpentylamino)methylidene]amino]propyl]benzamide;hydroiodide (PubChem CID 111943664) has the molecular formula C19H33IN4O and a molecular weight of 460.40 g/mol. Its IUPAC name is N-[3-[[ethylamino-(4-methylpentylamino)methylidene]amino]propyl]benzamide;hydroiodide.

Molecular Properties

Compound NameN-[3-[[ethylamino-(4-methylpentylamino)methylidene]amino]propyl]benzamide;hydroiodide
PubChem CID111943664
Molecular FormulaC19H33IN4O
Molecular Weight460.40 g/mol
Exact Mass460.17
IUPAC NameN-[3-[[ethylamino-(4-methylpentylamino)methylidene]amino]propyl]benzamide;hydroiodide
SMILESCCN/C(=N\CCCNC(=O)c1ccccc1)NCCCC(C)C.I
InChIInChI=1S/C19H32N4O.HI/c1-4-20-19(22-13-8-10-16(2)3)23-15-9-14-21-18(24)17-11-6-5-7-12-17;/h5-7,11-12,16H,4,8-10,13-15H2,1-3H3,(H,21,24)(H2,20,22,23);1H
InChIKeyIYOMDAWMBJDPJK-UHFFFAOYSA-N
XLogP3.42
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.40
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[[2-[di(propan-2-yl)amino]ethylamino]-(ethylamino)methylidene]amino]propyl]benzamide;hydroiodide
CID 111246982
N-[3-[[(tert-butylamino)-(ethylamino)methylidene]amino]propyl]benzamide;hydroiodide
CID 110966055
N-[3-[[(3-butoxypropylamino)-(ethylamino)methylidene]amino]propyl]benzamide;hydroiodide
CID 111238796
N-[3-[[ethylamino-(prop-2-enylamino)methylidene]amino]propyl]benzamide;hydroiodide
CID 136925803
N-[3-[[ethylamino-(2-phenoxyethylamino)methylidene]amino]propyl]benzamide
CID 111005793
N-ethyl-4-[[[ethylamino-(4-methylpentylamino)methylidene]amino]methyl]benzamide
CID 111942415
N-[2-[[N-ethyl-N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]benzamide
CID 110940306
N-[3-[[ethylamino-(3-methylbutylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide
CID 111771003
N-[2-[[N'-(3-ethoxy-4-methylpentyl)-N-ethylcarbamimidoyl]amino]ethyl]benzamide
CID 111717016
N-[2-[[N'-[2-(2-butoxyethoxy)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111693223
N-[3-[[butylamino(ethylamino)methylidene]amino]propyl]-3-hydroxybenzamide;hydroiodide
CID 111150111
N-[2-[[N'-[3-(azepan-1-yl)propyl]-N-ethylcarbamimidoyl]amino]ethyl]benzamide
CID 111325160

Frequently Asked Questions

What is the IUPAC name of N-[3-[[ethylamino-(4-methylpentylamino)methylidene]amino]propyl]benzamide;hydroiodide?
The IUPAC name of N-[3-[[ethylamino-(4-methylpentylamino)methylidene]amino]propyl]benzamide;hydroiodide (CID 111943664) is N-[3-[[ethylamino-(4-methylpentylamino)methylidene]amino]propyl]benzamide;hydroiodide.
What is the SMILES notation for N-[3-[[ethylamino-(4-methylpentylamino)methylidene]amino]propyl]benzamide;hydroiodide?
The canonical SMILES for N-[3-[[ethylamino-(4-methylpentylamino)methylidene]amino]propyl]benzamide;hydroiodide is CCN/C(=N\CCCNC(=O)c1ccccc1)NCCCC(C)C.I.
What is the InChIKey of N-[3-[[ethylamino-(4-methylpentylamino)methylidene]amino]propyl]benzamide;hydroiodide?
The InChIKey is IYOMDAWMBJDPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O.HI/c1-4-20-19(22-13-8-10-16(2)3)23-15-9-14-21-18(24)17-11-6-5-7-12-17;/h5-7,11-12,16H,4,8-10,13-15H2,1-3H3,(H,21,24)(H2,20,22,23);1H.
What are the key properties of N-[3-[[ethylamino-(4-methylpentylamino)methylidene]amino]propyl]benzamide;hydroiodide?
N-[3-[[ethylamino-(4-methylpentylamino)methylidene]amino]propyl]benzamide;hydroiodide has a molecular weight of 460.40 g/mol, XLogP of 3.42, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[ethylamino-(4-methylpentylamino)methylidene]amino]propyl]benzamide;hydroiodide is sourced from PubChem (CID 111943664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).