(Z)-3-[[(3E,5Z)-hepta-3,5-dien-3-yl]amino]prop-2-enimidamide

C10H17N3 — CID 137282310

IUPAC(Z)-3-[[(3E,5Z)-hepta-3,5-dien-3-yl]amino]prop-2-enimidamide
SMILES[H]/N=C(N)/C=C\N/C(=C/C=C\C)CC
InChIInChI=1S/C10H17N3/c1-3-5-6-9(4-2)13-8-7-10(11)12/h3,5-8,13H,4H2,1-2H3,(H3,11,12)/b5-3-,8-7-,9-6+
InChIKeyNVRXZDCAXHDZOU-MMHUOANUSA-N
MW179.27 g/mol
LogP1.90
Rot. Bonds5

About (Z)-3-[[(3E,5Z)-hepta-3,5-dien-3-yl]amino]prop-2-enimidamide

(Z)-3-[[(3E,5Z)-hepta-3,5-dien-3-yl]amino]prop-2-enimidamide (PubChem CID 137282310) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (Z)-3-[[(3E,5Z)-hepta-3,5-dien-3-yl]amino]prop-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-[[(3E,5Z)-hepta-3,5-dien-3-yl]amino]prop-2-enimidamide
PubChem CID137282310
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(Z)-3-[[(3E,5Z)-hepta-3,5-dien-3-yl]amino]prop-2-enimidamide
SMILES[H]/N=C(N)/C=C\N/C(=C/C=C\C)CC
InChIInChI=1S/C10H17N3/c1-3-5-6-9(4-2)13-8-7-10(11)12/h3,5-8,13H,4H2,1-2H3,(H3,11,12)/b5-3-,8-7-,9-6+
InChIKeyNVRXZDCAXHDZOU-MMHUOANUSA-N
XLogP1.90
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.90
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[[(3E,5Z)-hepta-3,5-dien-3-yl]amino]prop-2-enimidamide?
The IUPAC name of (Z)-3-[[(3E,5Z)-hepta-3,5-dien-3-yl]amino]prop-2-enimidamide (CID 137282310) is (Z)-3-[[(3E,5Z)-hepta-3,5-dien-3-yl]amino]prop-2-enimidamide.
What is the SMILES notation for (Z)-3-[[(3E,5Z)-hepta-3,5-dien-3-yl]amino]prop-2-enimidamide?
The canonical SMILES for (Z)-3-[[(3E,5Z)-hepta-3,5-dien-3-yl]amino]prop-2-enimidamide is [H]/N=C(N)/C=C\N/C(=C/C=C\C)CC.
What is the InChIKey of (Z)-3-[[(3E,5Z)-hepta-3,5-dien-3-yl]amino]prop-2-enimidamide?
The InChIKey is NVRXZDCAXHDZOU-MMHUOANUSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-5-6-9(4-2)13-8-7-10(11)12/h3,5-8,13H,4H2,1-2H3,(H3,11,12)/b5-3-,8-7-,9-6+.
What are the key properties of (Z)-3-[[(3E,5Z)-hepta-3,5-dien-3-yl]amino]prop-2-enimidamide?
(Z)-3-[[(3E,5Z)-hepta-3,5-dien-3-yl]amino]prop-2-enimidamide has a molecular weight of 179.27 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[[(3E,5Z)-hepta-3,5-dien-3-yl]amino]prop-2-enimidamide is sourced from PubChem (CID 137282310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).