N'-[(1Z)-buta-1,3-dienyl]-2-(methylamino)pentanimidamide

C10H19N3 — CID 123954546

IUPACN'-[(1Z)-buta-1,3-dienyl]-2-(methylamino)pentanimidamide
SMILESC=C/C=C\N=C(/N)C(CCC)NC
InChIInChI=1S/C10H19N3/c1-4-6-8-13-10(11)9(12-3)7-5-2/h4,6,8-9,12H,1,5,7H2,2-3H3,(H2,11,13)/b8-6-
InChIKeyURCNEFUUUMAUIJ-VURMDHGXSA-N
MW181.28 g/mol
LogP1.43
Rot. Bonds6

About N'-[(1Z)-buta-1,3-dienyl]-2-(methylamino)pentanimidamide

N'-[(1Z)-buta-1,3-dienyl]-2-(methylamino)pentanimidamide (PubChem CID 123954546) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N'-[(1Z)-buta-1,3-dienyl]-2-(methylamino)pentanimidamide.

Molecular Properties

Compound NameN'-[(1Z)-buta-1,3-dienyl]-2-(methylamino)pentanimidamide
PubChem CID123954546
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN'-[(1Z)-buta-1,3-dienyl]-2-(methylamino)pentanimidamide
SMILESC=C/C=C\N=C(/N)C(CCC)NC
InChIInChI=1S/C10H19N3/c1-4-6-8-13-10(11)9(12-3)7-5-2/h4,6,8-9,12H,1,5,7H2,2-3H3,(H2,11,13)/b8-6-
InChIKeyURCNEFUUUMAUIJ-VURMDHGXSA-N
XLogP1.43
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.43
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-pentyl-1H-1,3-diazepine
CID 67931914
(2S)-N'-ethenyl-2-(ethylamino)butanimidamide
CID 88885474
N-[1-(1,4-dihydropyrimidin-2-yl)ethyl]propan-1-amine
CID 123441248
N'-butan-2-yl-N-[(Z)-prop-1-enyl]propanimidamide
CID 123942636
1-butan-2-yl-N'-methyl-N-prop-1-enylpyrrolidine-2-carboximidamide
CID 123950440
2-(methylamino)-N'-[(E)-prop-1-enyl]butanimidamide
CID 141155166
2-(dimethylamino)-N'-[(E)-prop-1-enyl]butanimidamide
CID 141260220
N'-[(E)-prop-1-enyl]pyrrolidine-2-carboximidamide
CID 144443719

Frequently Asked Questions

What is the IUPAC name of N'-[(1Z)-buta-1,3-dienyl]-2-(methylamino)pentanimidamide?
The IUPAC name of N'-[(1Z)-buta-1,3-dienyl]-2-(methylamino)pentanimidamide (CID 123954546) is N'-[(1Z)-buta-1,3-dienyl]-2-(methylamino)pentanimidamide.
What is the SMILES notation for N'-[(1Z)-buta-1,3-dienyl]-2-(methylamino)pentanimidamide?
The canonical SMILES for N'-[(1Z)-buta-1,3-dienyl]-2-(methylamino)pentanimidamide is C=C/C=C\N=C(/N)C(CCC)NC.
What is the InChIKey of N'-[(1Z)-buta-1,3-dienyl]-2-(methylamino)pentanimidamide?
The InChIKey is URCNEFUUUMAUIJ-VURMDHGXSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-6-8-13-10(11)9(12-3)7-5-2/h4,6,8-9,12H,1,5,7H2,2-3H3,(H2,11,13)/b8-6-.
What are the key properties of N'-[(1Z)-buta-1,3-dienyl]-2-(methylamino)pentanimidamide?
N'-[(1Z)-buta-1,3-dienyl]-2-(methylamino)pentanimidamide has a molecular weight of 181.28 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1Z)-buta-1,3-dienyl]-2-(methylamino)pentanimidamide is sourced from PubChem (CID 123954546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).