N'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N-(methyliminomethyl)ethanimidamide

C14H28N4O — CID 90250384

IUPACN'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N-(methyliminomethyl)ethanimidamide
SMILESC/C=C\CCN(CC)CC(O)C/N=C(\C)N/C=N/C
InChIInChI=1S/C14H28N4O/c1-5-7-8-9-18(6-2)11-14(19)10-16-13(3)17-12-15-4/h5,7,12,14,19H,6,8-11H2,1-4H3,(H,15,16,17)/b7-5-
InChIKeyVNYMWPGQUYTSMJ-ALCCZGGFSA-N
MW268.40 g/mol
LogP1.30
Rot. Bonds9

About N'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N-(methyliminomethyl)ethanimidamide

N'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N-(methyliminomethyl)ethanimidamide (PubChem CID 90250384) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is N'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N-(methyliminomethyl)ethanimidamide.

Molecular Properties

Compound NameN'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N-(methyliminomethyl)ethanimidamide
PubChem CID90250384
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC NameN'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N-(methyliminomethyl)ethanimidamide
SMILESC/C=C\CCN(CC)CC(O)C/N=C(\C)N/C=N/C
InChIInChI=1S/C14H28N4O/c1-5-7-8-9-18(6-2)11-14(19)10-16-13(3)17-12-15-4/h5,7,12,14,19H,6,8-11H2,1-4H3,(H,15,16,17)/b7-5-
InChIKeyVNYMWPGQUYTSMJ-ALCCZGGFSA-N
XLogP1.30
TPSA60.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N-(methyliminomethyl)ethanimidamide?
The IUPAC name of N'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N-(methyliminomethyl)ethanimidamide (CID 90250384) is N'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N-(methyliminomethyl)ethanimidamide.
What is the SMILES notation for N'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N-(methyliminomethyl)ethanimidamide?
The canonical SMILES for N'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N-(methyliminomethyl)ethanimidamide is C/C=C\CCN(CC)CC(O)C/N=C(\C)N/C=N/C.
What is the InChIKey of N'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N-(methyliminomethyl)ethanimidamide?
The InChIKey is VNYMWPGQUYTSMJ-ALCCZGGFSA-N. The full InChI is InChI=1S/C14H28N4O/c1-5-7-8-9-18(6-2)11-14(19)10-16-13(3)17-12-15-4/h5,7,12,14,19H,6,8-11H2,1-4H3,(H,15,16,17)/b7-5-.
What are the key properties of N'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N-(methyliminomethyl)ethanimidamide?
N'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N-(methyliminomethyl)ethanimidamide has a molecular weight of 268.40 g/mol, XLogP of 1.30, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N-(methyliminomethyl)ethanimidamide is sourced from PubChem (CID 90250384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).