(Z)-4-[[(2Z,5Z)-6-amino-6-cyclopropyl-4-iminohexa-2,5-dien-3-yl]amino]-N'-methylpent-2-enimidamide

C15H25N5 — CID 167450478

IUPAC(Z)-4-[[(2Z,5Z)-6-amino-6-cyclopropyl-4-iminohexa-2,5-dien-3-yl]amino]-N'-methylpent-2-enimidamide
SMILES[H]/N=C(/C=C(\N)C1CC1)C(=C\C)\NC(C)/C=C\C(N)=N\C
InChIInChI=1S/C15H25N5/c1-4-14(13(17)9-12(16)11-6-7-11)20-10(2)5-8-15(18)19-3/h4-5,8-11,17,20H,6-7,16H2,1-3H3,(H2,18,19)/b8-5-,12-9-,14-4-,17-13-
InChIKeyPLRLMGQRSPLEAG-XXAJHKINSA-N
MW275.40 g/mol
LogP1.68
Rot. Bonds7

About (Z)-4-[[(2Z,5Z)-6-amino-6-cyclopropyl-4-iminohexa-2,5-dien-3-yl]amino]-N'-methylpent-2-enimidamide

(Z)-4-[[(2Z,5Z)-6-amino-6-cyclopropyl-4-iminohexa-2,5-dien-3-yl]amino]-N'-methylpent-2-enimidamide (PubChem CID 167450478) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is (Z)-4-[[(2Z,5Z)-6-amino-6-cyclopropyl-4-iminohexa-2,5-dien-3-yl]amino]-N'-methylpent-2-enimidamide.

Molecular Properties

Compound Name(Z)-4-[[(2Z,5Z)-6-amino-6-cyclopropyl-4-iminohexa-2,5-dien-3-yl]amino]-N'-methylpent-2-enimidamide
PubChem CID167450478
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name(Z)-4-[[(2Z,5Z)-6-amino-6-cyclopropyl-4-iminohexa-2,5-dien-3-yl]amino]-N'-methylpent-2-enimidamide
SMILES[H]/N=C(/C=C(\N)C1CC1)C(=C\C)\NC(C)/C=C\C(N)=N\C
InChIInChI=1S/C15H25N5/c1-4-14(13(17)9-12(16)11-6-7-11)20-10(2)5-8-15(18)19-3/h4-5,8-11,17,20H,6-7,16H2,1-3H3,(H2,18,19)/b8-5-,12-9-,14-4-,17-13-
InChIKeyPLRLMGQRSPLEAG-XXAJHKINSA-N
XLogP1.68
TPSA100.28 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-[[(2Z,5Z)-6-amino-6-cyclopropyl-4-iminohexa-2,5-dien-3-yl]amino]-N'-methylpent-2-enimidamide?
The IUPAC name of (Z)-4-[[(2Z,5Z)-6-amino-6-cyclopropyl-4-iminohexa-2,5-dien-3-yl]amino]-N'-methylpent-2-enimidamide (CID 167450478) is (Z)-4-[[(2Z,5Z)-6-amino-6-cyclopropyl-4-iminohexa-2,5-dien-3-yl]amino]-N'-methylpent-2-enimidamide.
What is the SMILES notation for (Z)-4-[[(2Z,5Z)-6-amino-6-cyclopropyl-4-iminohexa-2,5-dien-3-yl]amino]-N'-methylpent-2-enimidamide?
The canonical SMILES for (Z)-4-[[(2Z,5Z)-6-amino-6-cyclopropyl-4-iminohexa-2,5-dien-3-yl]amino]-N'-methylpent-2-enimidamide is [H]/N=C(/C=C(\N)C1CC1)C(=C\C)\NC(C)/C=C\C(N)=N\C.
What is the InChIKey of (Z)-4-[[(2Z,5Z)-6-amino-6-cyclopropyl-4-iminohexa-2,5-dien-3-yl]amino]-N'-methylpent-2-enimidamide?
The InChIKey is PLRLMGQRSPLEAG-XXAJHKINSA-N. The full InChI is InChI=1S/C15H25N5/c1-4-14(13(17)9-12(16)11-6-7-11)20-10(2)5-8-15(18)19-3/h4-5,8-11,17,20H,6-7,16H2,1-3H3,(H2,18,19)/b8-5-,12-9-,14-4-,17-13-.
What are the key properties of (Z)-4-[[(2Z,5Z)-6-amino-6-cyclopropyl-4-iminohexa-2,5-dien-3-yl]amino]-N'-methylpent-2-enimidamide?
(Z)-4-[[(2Z,5Z)-6-amino-6-cyclopropyl-4-iminohexa-2,5-dien-3-yl]amino]-N'-methylpent-2-enimidamide has a molecular weight of 275.40 g/mol, XLogP of 1.68, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[[(2Z,5Z)-6-amino-6-cyclopropyl-4-iminohexa-2,5-dien-3-yl]amino]-N'-methylpent-2-enimidamide is sourced from PubChem (CID 167450478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).