N-[2-[[amino-(butan-2-ylamino)methylidene]amino]ethyl]benzamide;hydroiodide

C14H23IN4O — CID 110920595

IUPACN-[2-[[amino-(butan-2-ylamino)methylidene]amino]ethyl]benzamide;hydroiodide
SMILESCCC(C)N/C(N)=N/CCNC(=O)c1ccccc1.I
InChIInChI=1S/C14H22N4O.HI/c1-3-11(2)18-14(15)17-10-9-16-13(19)12-7-5-4-6-8-12;/h4-8,11H,3,9-10H2,1-2H3,(H,16,19)(H3,15,17,18);1H
InChIKeyWRDJFVCBUDNYKX-UHFFFAOYSA-N
MW390.27 g/mol
LogP1.74
Rot. Bonds6

About N-[2-[[amino-(butan-2-ylamino)methylidene]amino]ethyl]benzamide;hydroiodide

N-[2-[[amino-(butan-2-ylamino)methylidene]amino]ethyl]benzamide;hydroiodide (PubChem CID 110920595) has the molecular formula C14H23IN4O and a molecular weight of 390.27 g/mol. Its IUPAC name is N-[2-[[amino-(butan-2-ylamino)methylidene]amino]ethyl]benzamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[amino-(butan-2-ylamino)methylidene]amino]ethyl]benzamide;hydroiodide
PubChem CID110920595
Molecular FormulaC14H23IN4O
Molecular Weight390.27 g/mol
Exact Mass390.09
IUPAC NameN-[2-[[amino-(butan-2-ylamino)methylidene]amino]ethyl]benzamide;hydroiodide
SMILESCCC(C)N/C(N)=N/CCNC(=O)c1ccccc1.I
InChIInChI=1S/C14H22N4O.HI/c1-3-11(2)18-14(15)17-10-9-16-13(19)12-7-5-4-6-8-12;/h4-8,11H,3,9-10H2,1-2H3,(H,16,19)(H3,15,17,18);1H
InChIKeyWRDJFVCBUDNYKX-UHFFFAOYSA-N
XLogP1.74
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 51.74
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-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]benzamide;hydroiodide
CID 111042694
N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-3-methylbenzamide
CID 111075743
N-[3-[(N-butan-2-yl-N'-methylcarbamimidoyl)amino]propyl]benzamide
CID 56801502
N-[3-[[amino-(octylamino)methylidene]amino]propyl]benzamide
CID 111094065
N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
CID 111055780
ethyl 4-[[N'-(2-benzamidoethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111042717
N-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]-3-methoxybenzamide;hydroiodide
CID 110944029
N-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 110944024
1-butan-2-yl-2-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]guanidine;hydroiodide
CID 111117792
N-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]-2-hydroxybenzamide
CID 110946152
N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 94102099
N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 94102098

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(butan-2-ylamino)methylidene]amino]ethyl]benzamide;hydroiodide?
The IUPAC name of N-[2-[[amino-(butan-2-ylamino)methylidene]amino]ethyl]benzamide;hydroiodide (CID 110920595) is N-[2-[[amino-(butan-2-ylamino)methylidene]amino]ethyl]benzamide;hydroiodide.
What is the SMILES notation for N-[2-[[amino-(butan-2-ylamino)methylidene]amino]ethyl]benzamide;hydroiodide?
The canonical SMILES for N-[2-[[amino-(butan-2-ylamino)methylidene]amino]ethyl]benzamide;hydroiodide is CCC(C)N/C(N)=N/CCNC(=O)c1ccccc1.I.
What is the InChIKey of N-[2-[[amino-(butan-2-ylamino)methylidene]amino]ethyl]benzamide;hydroiodide?
The InChIKey is WRDJFVCBUDNYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O.HI/c1-3-11(2)18-14(15)17-10-9-16-13(19)12-7-5-4-6-8-12;/h4-8,11H,3,9-10H2,1-2H3,(H,16,19)(H3,15,17,18);1H.
What are the key properties of N-[2-[[amino-(butan-2-ylamino)methylidene]amino]ethyl]benzamide;hydroiodide?
N-[2-[[amino-(butan-2-ylamino)methylidene]amino]ethyl]benzamide;hydroiodide has a molecular weight of 390.27 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-(butan-2-ylamino)methylidene]amino]ethyl]benzamide;hydroiodide is sourced from PubChem (CID 110920595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).