(E)-N-(6-aminohexyl)-N'-formyl-4-methylidenepent-2-enediamide

C13H21N3O3 — CID 178025115

IUPAC(E)-N-(6-aminohexyl)-N'-formyl-4-methylidenepent-2-enediamide
SMILESC=C(/C=C/C(=O)NCCCCCCN)C(=O)NC=O
InChIInChI=1S/C13H21N3O3/c1-11(13(19)16-10-17)6-7-12(18)15-9-5-3-2-4-8-14/h6-7,10H,1-5,8-9,14H2,(H,15,18)(H,16,17,19)/b7-6+
InChIKeyMNSVAAXRYVUCGC-VOTSOKGWSA-N
MW267.33 g/mol
LogP0.01
Rot. Bonds10

About (E)-N-(6-aminohexyl)-N'-formyl-4-methylidenepent-2-enediamide

(E)-N-(6-aminohexyl)-N'-formyl-4-methylidenepent-2-enediamide (PubChem CID 178025115) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is (E)-N-(6-aminohexyl)-N'-formyl-4-methylidenepent-2-enediamide.

Molecular Properties

Compound Name(E)-N-(6-aminohexyl)-N'-formyl-4-methylidenepent-2-enediamide
PubChem CID178025115
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name(E)-N-(6-aminohexyl)-N'-formyl-4-methylidenepent-2-enediamide
SMILESC=C(/C=C/C(=O)NCCCCCCN)C(=O)NC=O
InChIInChI=1S/C13H21N3O3/c1-11(13(19)16-10-17)6-7-12(18)15-9-5-3-2-4-8-14/h6-7,10H,1-5,8-9,14H2,(H,15,18)(H,16,17,19)/b7-6+
InChIKeyMNSVAAXRYVUCGC-VOTSOKGWSA-N
XLogP0.01
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-N'-[4-(3-aminopropylamino)butyl]-N-[6-(diaminomethylideneamino)hexyl]but-2-enediamide
CID 10667690
N-(4-aminobutyl)prop-2-enamide;hydrochloride
CID 19429106
N-(8-aminooctyl)-2-methylprop-2-enamide
CID 86094836
(Z)-N-(4-aminobutyl)-2-methylidene-5-methyliminopent-3-enamide
CID 178020094
N,N'-bis(2-aminoethyl)but-2-enediamide
CID 86151646
(Z)-4-[6-[[(E)-3-carboxyprop-2-enoyl]amino]hexylamino]-4-oxobut-2-enoic acid
CID 92542312
4-[8-(3-carboxyprop-2-enoylamino)octylamino]-4-oxobut-2-enoic acid
CID 54461920
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
N-(6-aminohexyl)-2-iodoacetamide
CID 129106348
(Z)-N'-decylbut-2-enediamide
CID 87339219

Frequently Asked Questions

What is the IUPAC name of (E)-N-(6-aminohexyl)-N'-formyl-4-methylidenepent-2-enediamide?
The IUPAC name of (E)-N-(6-aminohexyl)-N'-formyl-4-methylidenepent-2-enediamide (CID 178025115) is (E)-N-(6-aminohexyl)-N'-formyl-4-methylidenepent-2-enediamide.
What is the SMILES notation for (E)-N-(6-aminohexyl)-N'-formyl-4-methylidenepent-2-enediamide?
The canonical SMILES for (E)-N-(6-aminohexyl)-N'-formyl-4-methylidenepent-2-enediamide is C=C(/C=C/C(=O)NCCCCCCN)C(=O)NC=O.
What is the InChIKey of (E)-N-(6-aminohexyl)-N'-formyl-4-methylidenepent-2-enediamide?
The InChIKey is MNSVAAXRYVUCGC-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-11(13(19)16-10-17)6-7-12(18)15-9-5-3-2-4-8-14/h6-7,10H,1-5,8-9,14H2,(H,15,18)(H,16,17,19)/b7-6+.
What are the key properties of (E)-N-(6-aminohexyl)-N'-formyl-4-methylidenepent-2-enediamide?
(E)-N-(6-aminohexyl)-N'-formyl-4-methylidenepent-2-enediamide has a molecular weight of 267.33 g/mol, XLogP of 0.01, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-aminohexyl)-N'-formyl-4-methylidenepent-2-enediamide is sourced from PubChem (CID 178025115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).