N'-(2-methylpentan-2-yl)-N-pent-1-enylpentanimidamide

C16H32N2 — CID 123711026

IUPACN'-(2-methylpentan-2-yl)-N-pent-1-enylpentanimidamide
SMILESCCCC=CN/C(CCCC)=N/C(C)(C)CCC
InChIInChI=1S/C16H32N2/c1-6-9-11-14-17-15(12-10-7-2)18-16(4,5)13-8-3/h11,14H,6-10,12-13H2,1-5H3,(H,17,18)
InChIKeyMPTBGXMJSNZYMR-UHFFFAOYSA-N
MW252.45 g/mol
LogP5.06
Rot. Bonds9

About N'-(2-methylpentan-2-yl)-N-pent-1-enylpentanimidamide

N'-(2-methylpentan-2-yl)-N-pent-1-enylpentanimidamide (PubChem CID 123711026) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N'-(2-methylpentan-2-yl)-N-pent-1-enylpentanimidamide.

Molecular Properties

Compound NameN'-(2-methylpentan-2-yl)-N-pent-1-enylpentanimidamide
PubChem CID123711026
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN'-(2-methylpentan-2-yl)-N-pent-1-enylpentanimidamide
SMILESCCCC=CN/C(CCCC)=N/C(C)(C)CCC
InChIInChI=1S/C16H32N2/c1-6-9-11-14-17-15(12-10-7-2)18-16(4,5)13-8-3/h11,14H,6-10,12-13H2,1-5H3,(H,17,18)
InChIKeyMPTBGXMJSNZYMR-UHFFFAOYSA-N
XLogP5.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.45
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N'-(2-methylpentan-2-yl)-N-pent-1-enylpentanimidamide?
The IUPAC name of N'-(2-methylpentan-2-yl)-N-pent-1-enylpentanimidamide (CID 123711026) is N'-(2-methylpentan-2-yl)-N-pent-1-enylpentanimidamide.
What is the SMILES notation for N'-(2-methylpentan-2-yl)-N-pent-1-enylpentanimidamide?
The canonical SMILES for N'-(2-methylpentan-2-yl)-N-pent-1-enylpentanimidamide is CCCC=CN/C(CCCC)=N/C(C)(C)CCC.
What is the InChIKey of N'-(2-methylpentan-2-yl)-N-pent-1-enylpentanimidamide?
The InChIKey is MPTBGXMJSNZYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-6-9-11-14-17-15(12-10-7-2)18-16(4,5)13-8-3/h11,14H,6-10,12-13H2,1-5H3,(H,17,18).
What are the key properties of N'-(2-methylpentan-2-yl)-N-pent-1-enylpentanimidamide?
N'-(2-methylpentan-2-yl)-N-pent-1-enylpentanimidamide has a molecular weight of 252.45 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpentan-2-yl)-N-pent-1-enylpentanimidamide is sourced from PubChem (CID 123711026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).