N-ethyl-N'-[3-[ethyl-[(Z)-2-methylhex-3-enyl]amino]-2-hydroxypropyl]methanimidamide

C15H31N3O — CID 90248281

IUPACN-ethyl-N'-[3-[ethyl-[(Z)-2-methylhex-3-enyl]amino]-2-hydroxypropyl]methanimidamide
SMILESCC/C=C\C(C)CN(CC)CC(O)C/N=C/NCC
InChIInChI=1S/C15H31N3O/c1-5-8-9-14(4)11-18(7-3)12-15(19)10-17-13-16-6-2/h8-9,13-15,19H,5-7,10-12H2,1-4H3,(H,16,17)/b9-8-
InChIKeyXBBSJZICCOEQJE-HJWRWDBZSA-N
MW269.43 g/mol
LogP1.91
Rot. Bonds11

About N-ethyl-N'-[3-[ethyl-[(Z)-2-methylhex-3-enyl]amino]-2-hydroxypropyl]methanimidamide

N-ethyl-N'-[3-[ethyl-[(Z)-2-methylhex-3-enyl]amino]-2-hydroxypropyl]methanimidamide (PubChem CID 90248281) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-ethyl-N'-[3-[ethyl-[(Z)-2-methylhex-3-enyl]amino]-2-hydroxypropyl]methanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-[3-[ethyl-[(Z)-2-methylhex-3-enyl]amino]-2-hydroxypropyl]methanimidamide
PubChem CID90248281
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-ethyl-N'-[3-[ethyl-[(Z)-2-methylhex-3-enyl]amino]-2-hydroxypropyl]methanimidamide
SMILESCC/C=C\C(C)CN(CC)CC(O)C/N=C/NCC
InChIInChI=1S/C15H31N3O/c1-5-8-9-14(4)11-18(7-3)12-15(19)10-17-13-16-6-2/h8-9,13-15,19H,5-7,10-12H2,1-4H3,(H,16,17)/b9-8-
InChIKeyXBBSJZICCOEQJE-HJWRWDBZSA-N
XLogP1.91
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

N-[[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]iminomethyl]-N'-methylmethanimidamide
CID 90248273
N-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N'-methylethanimidamide
CID 90248277
N-[2-hydroxy-3-[[(Z)-pent-3-enyl]-propylamino]propyl]-N'-methylmethanimidamide
CID 90250349
N'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N-(methyliminomethyl)ethanimidamide
CID 90250384
N-[3-[[(3Z)-hexa-3,5-dienyl]-propylamino]-2-hydroxypropyl]-N'-methylmethanimidamide
CID 90250575
N'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]methanimidamide
CID 90250601

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[3-[ethyl-[(Z)-2-methylhex-3-enyl]amino]-2-hydroxypropyl]methanimidamide?
The IUPAC name of N-ethyl-N'-[3-[ethyl-[(Z)-2-methylhex-3-enyl]amino]-2-hydroxypropyl]methanimidamide (CID 90248281) is N-ethyl-N'-[3-[ethyl-[(Z)-2-methylhex-3-enyl]amino]-2-hydroxypropyl]methanimidamide.
What is the SMILES notation for N-ethyl-N'-[3-[ethyl-[(Z)-2-methylhex-3-enyl]amino]-2-hydroxypropyl]methanimidamide?
The canonical SMILES for N-ethyl-N'-[3-[ethyl-[(Z)-2-methylhex-3-enyl]amino]-2-hydroxypropyl]methanimidamide is CC/C=C\C(C)CN(CC)CC(O)C/N=C/NCC.
What is the InChIKey of N-ethyl-N'-[3-[ethyl-[(Z)-2-methylhex-3-enyl]amino]-2-hydroxypropyl]methanimidamide?
The InChIKey is XBBSJZICCOEQJE-HJWRWDBZSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-8-9-14(4)11-18(7-3)12-15(19)10-17-13-16-6-2/h8-9,13-15,19H,5-7,10-12H2,1-4H3,(H,16,17)/b9-8-.
What are the key properties of N-ethyl-N'-[3-[ethyl-[(Z)-2-methylhex-3-enyl]amino]-2-hydroxypropyl]methanimidamide?
N-ethyl-N'-[3-[ethyl-[(Z)-2-methylhex-3-enyl]amino]-2-hydroxypropyl]methanimidamide has a molecular weight of 269.43 g/mol, XLogP of 1.91, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[3-[ethyl-[(Z)-2-methylhex-3-enyl]amino]-2-hydroxypropyl]methanimidamide is sourced from PubChem (CID 90248281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).