(2E)-2-amino-2-[3-(3-methylbutan-2-yl)-1H-pyridin-2-ylidene]-N'-pentylethanimidamide

C17H30N4 — CID 137215407

IUPAC(2E)-2-amino-2-[3-(3-methylbutan-2-yl)-1H-pyridin-2-ylidene]-N'-pentylethanimidamide
SMILESCCCCC/N=C(N)/C(N)=C1\NC=CC=C1C(C)C(C)C
InChIInChI=1S/C17H30N4/c1-5-6-7-10-21-17(19)15(18)16-14(9-8-11-20-16)13(4)12(2)3/h8-9,11-13,20H,5-7,10,18H2,1-4H3,(H2,19,21)/b16-15+
InChIKeyQBMBWEBYCBNFDH-FOCLMDBBSA-N
MW290.46 g/mol
LogP3.04
Rot. Bonds7

About (2E)-2-amino-2-[3-(3-methylbutan-2-yl)-1H-pyridin-2-ylidene]-N'-pentylethanimidamide

(2E)-2-amino-2-[3-(3-methylbutan-2-yl)-1H-pyridin-2-ylidene]-N'-pentylethanimidamide (PubChem CID 137215407) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is (2E)-2-amino-2-[3-(3-methylbutan-2-yl)-1H-pyridin-2-ylidene]-N'-pentylethanimidamide.

Molecular Properties

Compound Name(2E)-2-amino-2-[3-(3-methylbutan-2-yl)-1H-pyridin-2-ylidene]-N'-pentylethanimidamide
PubChem CID137215407
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name(2E)-2-amino-2-[3-(3-methylbutan-2-yl)-1H-pyridin-2-ylidene]-N'-pentylethanimidamide
SMILESCCCCC/N=C(N)/C(N)=C1\NC=CC=C1C(C)C(C)C
InChIInChI=1S/C17H30N4/c1-5-6-7-10-21-17(19)15(18)16-14(9-8-11-20-16)13(4)12(2)3/h8-9,11-13,20H,5-7,10,18H2,1-4H3,(H2,19,21)/b16-15+
InChIKeyQBMBWEBYCBNFDH-FOCLMDBBSA-N
XLogP3.04
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (2E)-2-amino-2-[3-(3-methylbutan-2-yl)-1H-pyridin-2-ylidene]-N'-pentylethanimidamide?
The IUPAC name of (2E)-2-amino-2-[3-(3-methylbutan-2-yl)-1H-pyridin-2-ylidene]-N'-pentylethanimidamide (CID 137215407) is (2E)-2-amino-2-[3-(3-methylbutan-2-yl)-1H-pyridin-2-ylidene]-N'-pentylethanimidamide.
What is the SMILES notation for (2E)-2-amino-2-[3-(3-methylbutan-2-yl)-1H-pyridin-2-ylidene]-N'-pentylethanimidamide?
The canonical SMILES for (2E)-2-amino-2-[3-(3-methylbutan-2-yl)-1H-pyridin-2-ylidene]-N'-pentylethanimidamide is CCCCC/N=C(N)/C(N)=C1\NC=CC=C1C(C)C(C)C.
What is the InChIKey of (2E)-2-amino-2-[3-(3-methylbutan-2-yl)-1H-pyridin-2-ylidene]-N'-pentylethanimidamide?
The InChIKey is QBMBWEBYCBNFDH-FOCLMDBBSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-6-7-10-21-17(19)15(18)16-14(9-8-11-20-16)13(4)12(2)3/h8-9,11-13,20H,5-7,10,18H2,1-4H3,(H2,19,21)/b16-15+.
What are the key properties of (2E)-2-amino-2-[3-(3-methylbutan-2-yl)-1H-pyridin-2-ylidene]-N'-pentylethanimidamide?
(2E)-2-amino-2-[3-(3-methylbutan-2-yl)-1H-pyridin-2-ylidene]-N'-pentylethanimidamide has a molecular weight of 290.46 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-amino-2-[3-(3-methylbutan-2-yl)-1H-pyridin-2-ylidene]-N'-pentylethanimidamide is sourced from PubChem (CID 137215407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).